N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide

C15H23NO2 — CID 111695751

IUPACN-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
SMILESCC(O)CCN(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-13(17)11-12-16(2)15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyAXLOQKGBZHHDHB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.24
Rot. Bonds7

About N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide

N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide (PubChem CID 111695751) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
PubChem CID111695751
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
SMILESCC(O)CCN(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-13(17)11-12-16(2)15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyAXLOQKGBZHHDHB-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
N-(3-hydroxybutyl)-N-methyl-2-(2-phenylethylsulfanyl)acetamide
CID 115691637
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115673298
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
N-methyl-N-(3-phenylpropyl)-3-(propan-2-ylamino)propanamide
CID 54925398
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
CID 113337561
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide (CID 111695751) is N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide is CC(O)CCN(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide?
The InChIKey is AXLOQKGBZHHDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(17)11-12-16(2)15(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,17H,6,9-12H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide?
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 111695751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).