4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide

C24H23N3O4 — CID 8884300

IUPAC4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-31-21-13-11-20(12-14-21)27-24(30)18-7-9-19(10-8-18)26-22(28)15-16-25-23(29)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyMXPVEHXPJKRWRD-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.71
Rot. Bonds8

About 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide

4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide (PubChem CID 8884300) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
PubChem CID8884300
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-31-21-13-11-20(12-14-21)27-24(30)18-7-9-19(10-8-18)26-22(28)15-16-25-23(29)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyMXPVEHXPJKRWRD-UHFFFAOYSA-N
XLogP3.71
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
3-[[4-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]benzoyl]amino]propanoic acid
CID 108807821
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide (CID 8884300) is 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCNC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide?
The InChIKey is MXPVEHXPJKRWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-31-21-13-11-20(12-14-21)27-24(30)18-7-9-19(10-8-18)26-22(28)15-16-25-23(29)17-5-3-2-4-6-17/h2-14H,15-16H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide?
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide has a molecular weight of 417.47 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 8884300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).