N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide

C15H23NO2 — CID 111433573

IUPACN-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(C)CC(=O)NCCC(C)O
InChIInChI=1S/C15H23NO2/c1-11-6-4-5-7-14(11)12(2)10-15(18)16-9-8-13(3)17/h4-7,12-13,17H,8-10H2,1-3H3,(H,16,18)
InChIKeySWLJEOJLIQGCOW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.38
Rot. Bonds6

About N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide

N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide (PubChem CID 111433573) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
PubChem CID111433573
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
SMILESCc1ccccc1C(C)CC(=O)NCCC(C)O
InChIInChI=1S/C15H23NO2/c1-11-6-4-5-7-14(11)12(2)10-15(18)16-9-8-13(3)17/h4-7,12-13,17H,8-10H2,1-3H3,(H,16,18)
InChIKeySWLJEOJLIQGCOW-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-methylphenyl)butanoylamino]propanoic acid
CID 119177010
N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
CID 111447562
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
4-methyl-2-[[3-(2-methylphenyl)butanoylamino]methyl]pentanoic acid
CID 119252905
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
CID 111441693
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylphenyl)butanamide;hydrochloride
CID 120944761
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide?
The IUPAC name of N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide (CID 111433573) is N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide is Cc1ccccc1C(C)CC(=O)NCCC(C)O.
What is the InChIKey of N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide?
The InChIKey is SWLJEOJLIQGCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-4-5-7-14(11)12(2)10-15(18)16-9-8-13(3)17/h4-7,12-13,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide?
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide has a molecular weight of 249.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide is sourced from PubChem (CID 111433573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).