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

C25H27N3O3 — CID 10645629

IUPAC5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(N)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-25(2,3)17-7-5-16(6-8-17)23(29)28-22-14-9-18(26)15-21(22)24(30)27-19-10-12-20(31-4)13-11-19/h5-15H,26H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyZUVRNEXUNNBKAD-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.08
Rot. Bonds5

About 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide

5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 10645629) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
PubChem CID10645629
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(N)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H27N3O3/c1-25(2,3)17-7-5-16(6-8-17)23(29)28-22-14-9-18(26)15-21(22)24(30)27-19-10-12-20(31-4)13-11-19/h5-15H,26H2,1-4H3,(H,27,30)(H,28,29)
InChIKeyZUVRNEXUNNBKAD-UHFFFAOYSA-N
XLogP5.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 11798169
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
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
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
4-amino-N-(4-tert-butylphenyl)-2-chlorobenzamide
CID 28748853

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide (CID 10645629) is 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cc(N)ccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is ZUVRNEXUNNBKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-25(2,3)17-7-5-16(6-8-17)23(29)28-22-14-9-18(26)15-21(22)24(30)27-19-10-12-20(31-4)13-11-19/h5-15H,26H2,1-4H3,(H,27,30)(H,28,29).
What are the key properties of 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide?
5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-tert-butylbenzoyl)amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 10645629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).