N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide

C147H169N13O26 — CID 158177733

About N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide

N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide (PubChem CID 158177733) has the molecular formula C147H169N13O26 and a molecular weight of 2534.03 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide.

Molecular Properties

• Compound Name: N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide
• PubChem CID: 158177733
• Molecular Formula: C147H169N13O26
• Molecular Weight: 2534.03 g/mol
• Exact Mass: 2532.23
• IUPAC Name: N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide
• SMILES: C=C(C)CN1C(=O)C(C)Oc2cc(NC(=O)CCCOc3ccc(C)cc3)ccc21.CCCCC(=O)Nc1ccc2c(c1)OCC(=O)N2CCOc1cccc(C)c1.CCCCC(=O)Nc1ccc2c(c1)OCC(=O)N2CCOc1ccccc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OC(C)C(=O)N3CCN(C)C)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OC(C)C(=O)N3CCOc2ccccc2)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCC(=O)N3CCOc2ccc(C)cc2)cc1
• InChI: InChI=1S/2C28H30N2O5.C24H31N3O4.C24H28N2O4.C22H26N2O4.C21H24N2O4/c1-20-5-10-23(11-6-20)33-16-3-4-27(31)29-22-9-14-25-26(18-22)35-19-28(32)30(25)15-17-34-24-12-7-21(2)8-13-24;1-20-10-13-24(14-11-20)33-17-6-9-27(31)29-22-12-15-25-26(19-22)35-21(2)28(32)30(25)16-18-34-23-7-4-3-5-8-23;1-17-7-10-20(11-8-17)30-15-5-6-23(28)25-19-9-12-21-22(16-19)31-18(2)24(29)27(21)14-13-26(3)4;1-16(2)15-26-21-12-9-19(14-22(21)30-18(4)24(26)28)25-23(27)6-5-13-29-20-10-7-17(3)8-11-20;1-3-4-8-21(25)23-17-9-10-19-20(14-17)28-15-22(26)24(19)11-12-27-18-7-5-6-16(2)13-18;1-2-3-9-20(24)22-16-10-11-18-19(14-16)27-15-21(25)23(18)12-13-26-17-7-5-4-6-8-17/h5-14,18H,3-4,15-17,19H2,1-2H3,(H,29,31);3-5,7-8,10-15,19,21H,6,9,16-18H2,1-2H3,(H,29,31);7-12,16,18H,5-6,13-15H2,1-4H3,(H,25,28);7-12,14,18H,1,5-6,13,15H2,2-4H3,(H,25,27);5-7,9-10,13-14H,3-4,8,11-12,15H2,1-2H3,(H,23,25);4-8,10-11,14H,2-3,9,12-13,15H2,1H3,(H,22,24)
• InChIKey: FYEXORSVHLDZNO-UHFFFAOYSA-N
• XLogP: 25.39
• TPSA: 428.92 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 53
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2534.03
LogP ≤ 5	25.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

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-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide?

The IUPAC name of N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide (CID 158177733) is N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide.

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

The canonical SMILES for N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide is C=C(C)CN1C(=O)C(C)Oc2cc(NC(=O)CCCOc3ccc(C)cc3)ccc21.CCCCC(=O)Nc1ccc2c(c1)OCC(=O)N2CCOc1cccc(C)c1.CCCCC(=O)Nc1ccc2c(c1)OCC(=O)N2CCOc1ccccc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OC(C)C(=O)N3CCN(C)C)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OC(C)C(=O)N3CCOc2ccccc2)cc1.Cc1ccc(OCCCC(=O)Nc2ccc3c(c2)OCC(=O)N3CCOc2ccc(C)cc2)cc1.

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

The InChIKey is FYEXORSVHLDZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H30N2O5.C24H31N3O4.C24H28N2O4.C22H26N2O4.C21H24N2O4/c1-20-5-10-23(11-6-20)33-16-3-4-27(31)29-22-9-14-25-26(18-22)35-19-28(32)30(25)15-17-34-24-12-7-21(2)8-13-24;1-20-10-13-24(14-11-20)33-17-6-9-27(31)29-22-12-15-25-26(19-22)35-21(2)28(32)30(25)16-18-34-23-7-4-3-5-8-23;1-17-7-10-20(11-8-17)30-15-5-6-23(28)25-19-9-12-21-22(16-19)31-18(2)24(29)27(21)14-13-26(3)4;1-16(2)15-26-21-12-9-19(14-22(21)30-18(4)24(26)28)25-23(27)6-5-13-29-20-10-7-17(3)8-11-20;1-3-4-8-21(25)23-17-9-10-19-20(14-17)28-15-22(26)24(19)11-12-27-18-7-5-6-16(2)13-18;1-2-3-9-20(24)22-16-10-11-18-19(14-16)27-15-21(25)23(18)12-13-26-17-7-5-4-6-8-17/h5-14,18H,3-4,15-17,19H2,1-2H3,(H,29,31);3-5,7-8,10-15,19,21H,6,9,16-18H2,1-2H3,(H,29,31);7-12,16,18H,5-6,13-15H2,1-4H3,(H,25,28);7-12,14,18H,1,5-6,13,15H2,2-4H3,(H,25,27);5-7,9-10,13-14H,3-4,8,11-12,15H2,1-2H3,(H,23,25);4-8,10-11,14H,2-3,9,12-13,15H2,1H3,(H,22,24).

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

N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide has a molecular weight of 2534.03 g/mol, XLogP of 25.39, 53 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(dimethylamino)ethyl]-2-methyl-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]-4-(4-methylphenoxy)butanamide;N-[2-methyl-3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]-4-(4-methylphenoxy)butanamide;N-[4-[2-(3-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]pentanamide;4-(4-methylphenoxy)-N-[4-[2-(4-methylphenoxy)ethyl]-3-oxo-1,4-benzoxazin-7-yl]butanamide;N-[3-oxo-4-(2-phenoxyethyl)-1,4-benzoxazin-7-yl]pentanamide is sourced from PubChem (CID 158177733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).