3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide

C24H26N2O4 — CID 86885388

IUPAC3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCCCn2ccccc2=O)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-29-22-17-20(12-13-21(22)30-18-19-9-3-2-4-10-19)24(28)25-14-6-8-16-26-15-7-5-11-23(26)27/h2-5,7,9-13,15,17H,6,8,14,16,18H2,1H3,(H,25,28)
InChIKeyJBQZBGJYDIQUFI-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.65
Rot. Bonds10

About 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide

3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide (PubChem CID 86885388) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
PubChem CID86885388
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCCCn2ccccc2=O)ccc1OCc1ccccc1
InChIInChI=1S/C24H26N2O4/c1-29-22-17-20(12-13-21(22)30-18-19-9-3-2-4-10-19)24(28)25-14-6-8-16-26-15-7-5-11-23(26)27/h2-5,7,9-13,15,17H,6,8,14,16,18H2,1H3,(H,25,28)
InChIKeyJBQZBGJYDIQUFI-UHFFFAOYSA-N
XLogP3.65
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
CID 13341006
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 60598425

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide (CID 86885388) is 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCCCn2ccccc2=O)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide?
The InChIKey is JBQZBGJYDIQUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-29-22-17-20(12-13-21(22)30-18-19-9-3-2-4-10-19)24(28)25-14-6-8-16-26-15-7-5-11-23(26)27/h2-5,7,9-13,15,17H,6,8,14,16,18H2,1H3,(H,25,28).
What are the key properties of 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide?
3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide has a molecular weight of 406.48 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 86885388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).