N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide

C14H21NO2 — CID 113337561

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
SMILESCC(CO)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(11-16)15(2)14(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3
InChIKeyMJNJZDSSPQSJBV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.85
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide

N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide (PubChem CID 113337561) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
PubChem CID113337561
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide
SMILESCC(CO)N(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(11-16)15(2)14(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3
InChIKeyMJNJZDSSPQSJBV-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 78884220
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide
CID 109388299
3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 104550949
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
CID 123171697
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
N-(2-bromoethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 80665156

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide (CID 113337561) is N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide is CC(CO)N(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide?
The InChIKey is MJNJZDSSPQSJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(11-16)15(2)14(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide?
N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 113337561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).