3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide

C24H32N2O3 — CID 17222708

IUPAC3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCCC)c2)cc1
InChIInChI=1S/C24H32N2O3/c1-3-5-6-7-8-17-29-22-14-12-19(13-15-22)24(28)26-21-11-9-10-20(18-21)23(27)25-16-4-2/h9-15,18H,3-8,16-17H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZJXSFODFVFBWKA-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.43
Rot. Bonds12

About 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide

3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide (PubChem CID 17222708) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
PubChem CID17222708
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCCC)c2)cc1
InChIInChI=1S/C24H32N2O3/c1-3-5-6-7-8-17-29-22-14-12-19(13-15-22)24(28)26-21-11-9-10-20(18-21)23(27)25-16-4-2/h9-15,18H,3-8,16-17H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZJXSFODFVFBWKA-UHFFFAOYSA-N
XLogP5.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
CID 17222720
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882
3-[[2-(4-heptoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54821404
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-butyl-3-[(4-hexoxybenzoyl)carbamothioylamino]benzamide
CID 17197253
3-[(4-hexoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167860
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide (CID 17222708) is 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide is CCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)NCCC)c2)cc1.
What is the InChIKey of 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide?
The InChIKey is ZJXSFODFVFBWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-5-6-7-8-17-29-22-14-12-19(13-15-22)24(28)26-21-11-9-10-20(18-21)23(27)25-16-4-2/h9-15,18H,3-8,16-17H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide?
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide has a molecular weight of 396.53 g/mol, XLogP of 5.43, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 17222708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).