N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide

C16H23NO3 — CID 110025916

IUPACN-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NC(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(20,13-5-3-2-4-6-13)11-15(19)17-14(9-10-18)12-7-8-12/h2-6,12,14,18,20H,7-11H2,1H3,(H,17,19)
InChIKeyKPVWBFMFEACWBI-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.56
Rot. Bonds7

About N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide

N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide (PubChem CID 110025916) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide
PubChem CID110025916
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NC(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-16(20,13-5-3-2-4-6-13)11-15(19)17-14(9-10-18)12-7-8-12/h2-6,12,14,18,20H,7-11H2,1H3,(H,17,19)
InChIKeyKPVWBFMFEACWBI-UHFFFAOYSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
D-erythro-MAPP
CID 124735
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
CID 11080284
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide
CID 11035480
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide
CID 11099742
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 6610217
N-[(1R,3S)-3-Hydroxy-1-(hydroxymethyl)-3-phenylpropyl]dodecanamide
CID 10970515
Benzeneacetamide, alpha-hydroxy-N-(1-methylethyl)-alpha-phenyl-
CID 3043303

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide (CID 110025916) is N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)NC(CCO)C1CC1)c1ccccc1.
What is the InChIKey of N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is KPVWBFMFEACWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(20,13-5-3-2-4-6-13)11-15(19)17-14(9-10-18)12-7-8-12/h2-6,12,14,18,20H,7-11H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide?
N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 277.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3-hydroxypropyl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).