3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide

C18H27NO2 — CID 111471964

IUPAC3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide
SMILESCC(CC1CCCC1)C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-14(13-15-7-5-6-8-15)18(21)19-12-11-17(20)16-9-3-2-4-10-16/h2-4,9-10,14-15,17,20H,5-8,11-13H2,1H3,(H,19,21)
InChIKeyMUJLNYIDRNGWLP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.44
Rot. Bonds7

About 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide

3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide (PubChem CID 111471964) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide
PubChem CID111471964
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide
SMILESCC(CC1CCCC1)C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-14(13-15-7-5-6-8-15)18(21)19-12-11-17(20)16-9-3-2-4-10-16/h2-4,9-10,14-15,17,20H,5-8,11-13H2,1H3,(H,19,21)
InChIKeyMUJLNYIDRNGWLP-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-phenylethanol
CID 15629098
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-benzyl-3-cyclopropyl-2-methylpropanamide
CID 11218218
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
CID 166414439
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
2-[4-[2-[(3-cyclopentyl-2-methylpropanoyl)amino]ethyl]phenoxy]acetic acid
CID 119255457
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452
5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110600

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide?
The IUPAC name of 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide (CID 111471964) is 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide is CC(CC1CCCC1)C(=O)NCCC(O)c1ccccc1.
What is the InChIKey of 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide?
The InChIKey is MUJLNYIDRNGWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(13-15-7-5-6-8-15)18(21)19-12-11-17(20)16-9-3-2-4-10-16/h2-4,9-10,14-15,17,20H,5-8,11-13H2,1H3,(H,19,21).
What are the key properties of 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide?
3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3-hydroxy-3-phenylpropyl)-2-methylpropanamide is sourced from PubChem (CID 111471964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).