N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide

C189H213N17O31 — CID 158370057

About N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide

N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide (PubChem CID 158370057) has the molecular formula C189H213N17O31 and a molecular weight of 3218.87 g/mol. Its IUPAC name is N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide.

Molecular Properties

• Compound Name: N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide
• PubChem CID: 158370057
• Molecular Formula: C189H213N17O31
• Molecular Weight: 3218.87 g/mol
• Exact Mass: 3216.56
• IUPAC Name: N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide
• SMILES: C=C(C)CN1C(=O)C(C)Oc2cc(NC(=O)CCCC)ccc21.C=CCN1C(=O)C(C)Oc2cc(NC(=O)CCCOc3ccc(C)cc3)ccc21.C=CCN1C(=O)COc2cc(NC(=O)CCCOc3ccc(C)cc3)ccc21.CCCCC(=O)Nc1ccc2c(c1)OC(C)C(=O)N2CCc1ccccc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OC(C)C(=O)N3Cc2ccccc2)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCC(=O)N3CCN(C)C)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCC(=O)N3CCOc2cccc(C)c2)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCC(=O)N3Cc2ccccc2)cc1
• InChI: InChI=1S/C28H30N2O5.C27H28N2O4.C26H26N2O4.C23H29N3O4.C23H26N2O4.C22H24N2O4.C22H26N2O3.C18H24N2O3/c1-20-8-11-23(12-9-20)33-15-4-7-27(31)29-22-10-13-25-26(18-22)35-19-28(32)30(25)14-16-34-24-6-3-5-21(2)17-24;1-19-10-13-23(14-11-19)32-16-6-9-26(30)28-22-12-15-24-25(17-22)33-20(2)27(31)29(24)18-21-7-4-3-5-8-21;1-19-9-12-22(13-10-19)31-15-5-8-25(29)27-21-11-14-23-24(16-21)32-18-26(30)28(23)17-20-6-3-2-4-7-20;1-17-6-9-19(10-7-17)29-14-4-5-22(27)24-18-8-11-20-21(15-18)30-16-23(28)26(20)13-12-25(2)3;1-4-13-25-20-12-9-18(15-21(20)29-17(3)23(25)27)24-22(26)6-5-14-28-19-10-7-16(2)8-11-19;1-3-12-24-19-11-8-17(14-20(19)28-15-22(24)26)23-21(25)5-4-13-27-18-9-6-16(2)7-10-18;1-3-4-10-21(25)23-18-11-12-19-20(15-18)27-16(2)22(26)24(19)14-13-17-8-6-5-7-9-17;1-5-6-7-17(21)19-14-8-9-15-16(10-14)23-13(4)18(22)20(15)11-12(2)3/h3,5-6,8-13,17-18H,4,7,14-16,19H2,1-2H3,(H,29,31);3-5,7-8,10-15,17,20H,6,9,16,18H2,1-2H3,(H,28,30);2-4,6-7,9-14,16H,5,8,15,17-18H2,1H3,(H,27,29);6-11,15H,4-5,12-14,16H2,1-3H3,(H,24,27);4,7-12,15,17H,1,5-6,13-14H2,2-3H3,(H,24,26);3,6-11,14H,1,4-5,12-13,15H2,2H3,(H,23,25);5-9,11-12,15-16H,3-4,10,13-14H2,1-2H3,(H,23,25);8-10,13H,2,5-7,11H2,1,3-4H3,(H,19,21)
• InChIKey: GUMSJMOYMBFLTB-UHFFFAOYSA-N
• XLogP: 33.28
• TPSA: 536.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 64
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3218.87
LogP ≤ 5	33.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide?

The IUPAC name of N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide (CID 158370057) is N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide.

What is the SMILES notation for N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide?

The canonical SMILES for N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide is C=C(C)CN1C(=O)C(C)Oc2cc(NC(=O)CCCC)ccc21.C=CCN1C(=O)C(C)Oc2cc(NC(=O)CCCOc3ccc(C)cc3)ccc21.C=CCN1C(=O)COc2cc(NC(=O)CCCOc3ccc(C)cc3)ccc21.CCCCC(=O)Nc1ccc2c(c1)OC(C)C(=O)N2CCc1ccccc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OC(C)C(=O)N3Cc2ccccc2)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCC(=O)N3CCN(C)C)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCC(=O)N3CCOc2cccc(C)c2)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCC(=O)N3Cc2ccccc2)cc1.

What is the InChIKey of N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide?

The InChIKey is GUMSJMOYMBFLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5.C27H28N2O4.C26H26N2O4.C23H29N3O4.C23H26N2O4.C22H24N2O4.C22H26N2O3.C18H24N2O3/c1-20-8-11-23(12-9-20)33-15-4-7-27(31)29-22-10-13-25-26(18-22)35-19-28(32)30(25)14-16-34-24-6-3-5-21(2)17-24;1-19-10-13-23(14-11-19)32-16-6-9-26(30)28-22-12-15-24-25(17-22)33-20(2)27(31)29(24)18-21-7-4-3-5-8-21;1-19-9-12-22(13-10-19)31-15-5-8-25(29)27-21-11-14-23-24(16-21)32-18-26(30)28(23)17-20-6-3-2-4-7-20;1-17-6-9-19(10-7-17)29-14-4-5-22(27)24-18-8-11-20-21(15-18)30-16-23(28)26(20)13-12-25(2)3;1-4-13-25-20-12-9-18(15-21(20)29-17(3)23(25)27)24-22(26)6-5-14-28-19-10-7-16(2)8-11-19;1-3-12-24-19-11-8-17(14-20(19)28-15-22(24)26)23-21(25)5-4-13-27-18-9-6-16(2)7-10-18;1-3-4-10-21(25)23-18-11-12-19-20(15-18)27-16(2)22(26)24(19)14-13-17-8-6-5-7-9-17;1-5-6-7-17(21)19-14-8-9-15-16(10-14)23-13(4)18(22)20(15)11-12(2)3/h3,5-6,8-13,17-18H,4,7,14-16,19H2,1-2H3,(H,29,31);3-5,7-8,10-15,17,20H,6,9,16,18H2,1-2H3,(H,28,30);2-4,6-7,9-14,16H,5,8,15,17-18H2,1H3,(H,27,29);6-11,15H,4-5,12-14,16H2,1-3H3,(H,24,27);4,7-12,15,17H,1,5-6,13-14H2,2-3H3,(H,24,26);3,6-11,14H,1,4-5,12-13,15H2,2H3,(H,23,25);5-9,11-12,15-16H,3-4,10,13-14H2,1-2H3,(H,23,25);8-10,13H,2,5-7,11H2,1,3-4H3,(H,19,21).

What are the key properties of N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide?

N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide has a molecular weight of 3218.87 g/mol, XLogP of 33.28, 64 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-benzyl-2-methyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-(4-benzyl-3-oxo-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;N-[4-[2-(dimethylamino)ethyl]-3-oxo-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[2-methyl-4-(2-methylprop-2-enyl)-3-oxo-1,4-benzoxazin-7-yl]pentanamide;N-[2-methyl-3-oxo-4-(2-phenylethyl)-1,4-benzoxazin-7-yl]pentanamide;N-(2-methyl-3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)-4-(4-methylphenoxy)butanamide;4-(4-methylphenoxy)-N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;4-(4-methylphenoxy)-N-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-7-yl)butanamide is sourced from PubChem (CID 158370057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).