N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide

C168H191F3N12O19 — CID 157221064

About N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 157221064) has the molecular formula C168H191F3N12O19 and a molecular weight of 2739.43 g/mol. Its IUPAC name is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 157221064
• Molecular Formula: C168H191F3N12O19
• Molecular Weight: 2739.43 g/mol
• Exact Mass: 2737.43
• IUPAC Name: N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
• SMILES: CC(=O)N1CCOc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccc(CN3CCCC3)c2)cc1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccc(CN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccn2)cc1.CCN(CC)Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.O=C(CC(c1ccc(C(F)(F)F)cc1)c1cccnc1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C32H38N2O4.C32H38N2O3.C32H40N2O3.C26H28N2O3.C23H19F3N2O3.C23H28N2O3/c1-32(2,3)26-9-7-24(8-10-26)28(25-6-4-5-23(19-25)22-34-13-15-36-16-14-34)21-31(35)33-27-11-12-29-30(20-27)38-18-17-37-29;1-32(2,3)26-11-9-24(10-12-26)28(25-8-6-7-23(19-25)22-34-15-4-5-16-34)21-31(35)33-27-13-14-29-30(20-27)37-18-17-36-29;1-6-34(7-2)22-23-9-8-10-25(19-23)28(24-11-13-26(14-12-24)32(3,4)5)21-31(35)33-27-15-16-29-30(20-27)37-18-17-36-29;1-26(2,3)19-9-7-18(8-10-19)21(22-6-4-5-13-27-22)17-25(29)28-20-11-12-23-24(16-20)31-15-14-30-23;24-23(25,26)17-5-3-15(4-6-17)19(16-2-1-9-27-14-16)13-22(29)28-18-7-8-20-21(12-18)31-11-10-30-20;1-16(26)25-13-14-28-21-15-19(10-11-20(21)25)24-22(27)12-7-17-5-8-18(9-6-17)23(2,3)4/h4-12,19-20,28H,13-18,21-22H2,1-3H3,(H,33,35);6-14,19-20,28H,4-5,15-18,21-22H2,1-3H3,(H,33,35);8-16,19-20,28H,6-7,17-18,21-22H2,1-5H3,(H,33,35);4-13,16,21H,14-15,17H2,1-3H3,(H,28,29);1-9,12,14,19H,10-11,13H2,(H,28,29);5-6,8-11,15H,7,12-14H2,1-4H3,(H,24,27)
• InChIKey: ASZNQUIORXMBFY-UHFFFAOYSA-N
• XLogP: 33.66
• TPSA: 341.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2739.43
LogP ≤ 5	33.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 157221064) is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide is CC(=O)N1CCOc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccc(CN3CCCC3)c2)cc1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccc(CN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccn2)cc1.CCN(CC)Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.O=C(CC(c1ccc(C(F)(F)F)cc1)c1cccnc1)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide?

The InChIKey is ASZNQUIORXMBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O4.C32H38N2O3.C32H40N2O3.C26H28N2O3.C23H19F3N2O3.C23H28N2O3/c1-32(2,3)26-9-7-24(8-10-26)28(25-6-4-5-23(19-25)22-34-13-15-36-16-14-34)21-31(35)33-27-11-12-29-30(20-27)38-18-17-37-29;1-32(2,3)26-11-9-24(10-12-26)28(25-8-6-7-23(19-25)22-34-15-4-5-16-34)21-31(35)33-27-13-14-29-30(20-27)37-18-17-36-29;1-6-34(7-2)22-23-9-8-10-25(19-23)28(24-11-13-26(14-12-24)32(3,4)5)21-31(35)33-27-15-16-29-30(20-27)37-18-17-36-29;1-26(2,3)19-9-7-18(8-10-19)21(22-6-4-5-13-27-22)17-25(29)28-20-11-12-23-24(16-20)31-15-14-30-23;24-23(25,26)17-5-3-15(4-6-17)19(16-2-1-9-27-14-16)13-22(29)28-18-7-8-20-21(12-18)31-11-10-30-20;1-16(26)25-13-14-28-21-15-19(10-11-20(21)25)24-22(27)12-7-17-5-8-18(9-6-17)23(2,3)4/h4-12,19-20,28H,13-18,21-22H2,1-3H3,(H,33,35);6-14,19-20,28H,4-5,15-18,21-22H2,1-3H3,(H,33,35);8-16,19-20,28H,6-7,17-18,21-22H2,1-5H3,(H,33,35);4-13,16,21H,14-15,17H2,1-3H3,(H,28,29);1-9,12,14,19H,10-11,13H2,(H,28,29);5-6,8-11,15H,7,12-14H2,1-4H3,(H,24,27).

What are the key properties of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide?

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 2739.43 g/mol, XLogP of 33.66, 37 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 157221064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).