2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide

C19H24N2O2 — CID 118774275

IUPAC2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
SMILESCOc1cccc(CC(=O)NC(CC(C)C)c2cccnc2)c1
InChIInChI=1S/C19H24N2O2/c1-14(2)10-18(16-7-5-9-20-13-16)21-19(22)12-15-6-4-8-17(11-15)23-3/h4-9,11,13-14,18H,10,12H2,1-3H3,(H,21,22)
InChIKeyWBXHUEUJZZBLCH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.54
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide

2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide (PubChem CID 118774275) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
PubChem CID118774275
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
SMILESCOc1cccc(CC(=O)NC(CC(C)C)c2cccnc2)c1
InChIInChI=1S/C19H24N2O2/c1-14(2)10-18(16-7-5-9-20-13-16)21-19(22)12-15-6-4-8-17(11-15)23-3/h4-9,11,13-14,18H,10,12H2,1-3H3,(H,21,22)
InChIKeyWBXHUEUJZZBLCH-UHFFFAOYSA-N
XLogP3.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
CID 125177918
(E)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]hex-3-enamide
CID 124756065
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
1-[(3-hydroxy-4-methoxyphenyl)methyl]-1-methyl-3-(3-methyl-1-pyridin-3-ylbutyl)urea
CID 122566896
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
CID 125491469
2-(3-methoxyphenyl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 42997257
2-(3,4-dimethylphenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 92683587
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide (CID 118774275) is 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide is COc1cccc(CC(=O)NC(CC(C)C)c2cccnc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide?
The InChIKey is WBXHUEUJZZBLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)10-18(16-7-5-9-20-13-16)21-19(22)12-15-6-4-8-17(11-15)23-3/h4-9,11,13-14,18H,10,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide?
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide is sourced from PubChem (CID 118774275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).