4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide

C27H29N3O4 — CID 11798169

IUPAC4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(C)=O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H29N3O4/c1-17(31)28-21-12-15-23(26(33)29-20-10-13-22(34-5)14-11-20)24(16-21)30-25(32)18-6-8-19(9-7-18)27(2,3)4/h6-16H,1-5H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyVDZJGNJCRKEIKD-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.46
Rot. Bonds6

About 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide

4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 11798169) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
PubChem CID11798169
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(C)=O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H29N3O4/c1-17(31)28-21-12-15-23(26(33)29-20-10-13-22(34-5)14-11-20)24(16-21)30-25(32)18-6-8-19(9-7-18)27(2,3)4/h6-16H,1-5H3,(H,28,31)(H,29,33)(H,30,32)
InChIKeyVDZJGNJCRKEIKD-UHFFFAOYSA-N
XLogP5.46
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 10645629
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
4-tert-butyl-N-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17235009

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide (CID 11798169) is 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(C)=O)cc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is VDZJGNJCRKEIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-17(31)28-21-12-15-23(26(33)29-20-10-13-22(34-5)14-11-20)24(16-21)30-25(32)18-6-8-19(9-7-18)27(2,3)4/h6-16H,1-5H3,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide?
4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 459.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 11798169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).