3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide

C30H44N2O4 — CID 19813861

IUPAC3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)NCCCCC)ccc2OC)cc1
InChIInChI=1S/C30H44N2O4/c1-4-6-8-9-10-11-12-14-22-36-26-18-15-24(16-19-26)30(34)32-27-23-25(17-20-28(27)35-3)29(33)31-21-13-7-5-2/h15-20,23H,4-14,21-22H2,1-3H3,(H,31,33)(H,32,34)
InChIKeyNWQYPPDJUIQPBT-UHFFFAOYSA-N
MW496.69 g/mol
LogP7.39
Rot. Bonds18

About 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide

3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide (PubChem CID 19813861) has the molecular formula C30H44N2O4 and a molecular weight of 496.69 g/mol. Its IUPAC name is 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide.

Molecular Properties

Compound Name3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide
PubChem CID19813861
Molecular FormulaC30H44N2O4
Molecular Weight496.69 g/mol
Exact Mass496.33
IUPAC Name3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide
SMILESCCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)NCCCCC)ccc2OC)cc1
InChIInChI=1S/C30H44N2O4/c1-4-6-8-9-10-11-12-14-22-36-26-18-15-24(16-19-26)30(34)32-27-23-25(17-20-28(27)35-3)29(33)31-21-13-7-5-2/h15-20,23H,4-14,21-22H2,1-3H3,(H,31,33)(H,32,34)
InChIKeyNWQYPPDJUIQPBT-UHFFFAOYSA-N
XLogP7.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.69
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-decoxybenzoyl)amino]-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 54418629
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-butyl-3-[(4-hexadecoxybenzoyl)amino]-4-methylsulfanylbenzamide
CID 19813906
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-[[4-(decylamino)benzoyl]amino]-4-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 19813916
3-[(4-decoxybenzoyl)amino]-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 19813902
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
2-heptadecoxy-1-N,4-N-di(octacosyl)benzene-1,4-dicarboxamide
CID 101293122

Frequently Asked Questions

What is the IUPAC name of 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide?
The IUPAC name of 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide (CID 19813861) is 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide.
What is the SMILES notation for 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide?
The canonical SMILES for 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide is CCCCCCCCCCOc1ccc(C(=O)Nc2cc(C(=O)NCCCCC)ccc2OC)cc1.
What is the InChIKey of 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide?
The InChIKey is NWQYPPDJUIQPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O4/c1-4-6-8-9-10-11-12-14-22-36-26-18-15-24(16-19-26)30(34)32-27-23-25(17-20-28(27)35-3)29(33)31-21-13-7-5-2/h15-20,23H,4-14,21-22H2,1-3H3,(H,31,33)(H,32,34).
What are the key properties of 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide?
3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide has a molecular weight of 496.69 g/mol, XLogP of 7.39, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-decoxybenzoyl)amino]-4-methoxy-N-pentylbenzamide is sourced from PubChem (CID 19813861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).