2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

C19H24N2O2 — CID 37485449

IUPAC2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCc2cccnc2OC)cc1
InChIInChI=1S/C19H24N2O2/c1-3-4-6-15-8-10-16(11-9-15)13-18(22)21-14-17-7-5-12-20-19(17)23-2/h5,7-12H,3-4,6,13-14H2,1-2H3,(H,21,22)
InChIKeySIGPHCAOIHJROK-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.29
Rot. Bonds8

About 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide

2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 37485449) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
PubChem CID37485449
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
SMILESCCCCc1ccc(CC(=O)NCc2cccnc2OC)cc1
InChIInChI=1S/C19H24N2O2/c1-3-4-6-15-8-10-16(11-9-15)13-18(22)21-14-17-7-5-12-20-19(17)23-2/h5,7-12H,3-4,6,13-14H2,1-2H3,(H,21,22)
InChIKeySIGPHCAOIHJROK-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795520
(2R)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795522
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
2-(2,4-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485782
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369
3-(2-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38535689
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide (CID 37485449) is 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is CCCCc1ccc(CC(=O)NCc2cccnc2OC)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is SIGPHCAOIHJROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-4-6-15-8-10-16(11-9-15)13-18(22)21-14-17-7-5-12-20-19(17)23-2/h5,7-12H,3-4,6,13-14H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide?
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 37485449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).