N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide

C19H22N2O3 — CID 17195196

IUPACN-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C19H22N2O3/c1-3-4-13-20-18(22)14-9-11-15(12-10-14)21-19(23)16-7-5-6-8-17(16)24-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBVPIRNBLXLFRCP-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds7

About N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide

N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide (PubChem CID 17195196) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
PubChem CID17195196
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C19H22N2O3/c1-3-4-13-20-18(22)14-9-11-15(12-10-14)21-19(23)16-7-5-6-8-17(16)24-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBVPIRNBLXLFRCP-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
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

2-[[4-(butylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17195127
N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9401212
N-[4-(hydrazinecarbonyl)phenyl]-2-methoxybenzamide
CID 139030098
2-methoxy-N-tridecylbenzamide
CID 139819873
N-butyl-4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17195121
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N-[6-(butylamino)-3-pyridinyl]-2-methoxybenzamide
CID 113009462
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
diethyl-[2-[[4-[(2-heptoxybenzoyl)amino]benzoyl]amino]ethyl]-methylazanium
CID 154676514
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide (CID 17195196) is N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide is CCCCNC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide?
The InChIKey is BVPIRNBLXLFRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-4-13-20-18(22)14-9-11-15(12-10-14)21-19(23)16-7-5-6-8-17(16)24-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide?
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17195196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).