N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide

C14H21NO2 — CID 55061059

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

About N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide

N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide (PubChem CID 55061059) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide
PubChem CID55061059
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide
SMILESCC(O)CN(C)C(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(16)11-15(2)14(17)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,16H,6,9-11H2,1-2H3
InChIKeyAOPZCIMFTYXVLV-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,N-Diethyl-2-phenylacetamide
CID 17076
N-(2-Hydroxyethyl)-alpha-methyl-4-(2-methylpropyl)benzeneacetamide
CID 71261
1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 1533088
N,N-bis(2-hydroxypropyl)benzamide
CID 11470407
N-(2-hydroxyethyl)-N-methyl-2,2-diphenylacetamide
CID 921388
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
N-(2-hydroxyethyl)-2,2-diphenyl-N-(propan-2-yl)acetamide
CID 659521
N-ethyl-N-(2-hydroxyethyl)-2,2-diphenylacetamide
CID 921277
1-(3-Methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 2891223
2-[4-(3-Phenylpropanoyl)piperazin-1-yl]ethanol
CID 2942280
(R,5Z,8Z,11Z,14Z)-N-(1-hydroxypropan-2-yl)-16-phenylhexadeca-5,8,11,14-tetraenamide
CID 44563658

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide (CID 55061059) is N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide is CC(O)CN(C)C(=O)CCCc1ccccc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide?
The InChIKey is AOPZCIMFTYXVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(16)11-15(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-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide?
N-(2-hydroxypropyl)-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-(2-hydroxypropyl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 55061059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).