4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide

C20H26N2O2 — CID 91792461

IUPAC4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
SMILESCCC(NC(=O)CCCc1ccc(OC)cc1)c1cccc(C)n1
InChIInChI=1S/C20H26N2O2/c1-4-18(19-9-5-7-15(2)21-19)22-20(23)10-6-8-16-11-13-17(24-3)14-12-16/h5,7,9,11-14,18H,4,6,8,10H2,1-3H3,(H,22,23)
InChIKeyCLKPPLSGMLNTNK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.99
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide

4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide (PubChem CID 91792461) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
PubChem CID91792461
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
SMILESCCC(NC(=O)CCCc1ccc(OC)cc1)c1cccc(C)n1
InChIInChI=1S/C20H26N2O2/c1-4-18(19-9-5-7-15(2)21-19)22-20(23)10-6-8-16-11-13-17(24-3)14-12-16/h5,7,9,11-14,18H,4,6,8,10H2,1-3H3,(H,22,23)
InChIKeyCLKPPLSGMLNTNK-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
CID 118778152
4,4-dimethyl-N-[(1S)-1-(6-methyl-2-pyridinyl)propyl]pentanamide
CID 126441988
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoic acid
CID 94966651
(2S)-2-[4-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 94966664
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
N-[1-(4-methoxyphenyl)propyl]-6-methylpyridine-2-carboxamide
CID 134001680
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-methylphenyl)propyl]propanamide
CID 45221927
3-(4-methoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]propanamide
CID 100592426

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide (CID 91792461) is 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide is CCC(NC(=O)CCCc1ccc(OC)cc1)c1cccc(C)n1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide?
The InChIKey is CLKPPLSGMLNTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-18(19-9-5-7-15(2)21-19)22-20(23)10-6-8-16-11-13-17(24-3)14-12-16/h5,7,9,11-14,18H,4,6,8,10H2,1-3H3,(H,22,23).
What are the key properties of 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide?
4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide has a molecular weight of 326.44 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide is sourced from PubChem (CID 91792461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).