N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide

C15H21NO2 — CID 99872804

IUPACN-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2/c17-11-9-13(12-4-2-1-3-5-12)8-10-16-15(18)14-6-7-14/h1-5,13-14,17H,6-11H2,(H,16,18)/t13-/m0/s1
InChIKeyUMTOKQOSJWJEQF-ZDUSSCGKSA-N
MW247.34 g/mol
LogP2.07
Rot. Bonds7

About N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide

N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide (PubChem CID 99872804) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
PubChem CID99872804
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)C1CC1
InChIInChI=1S/C15H21NO2/c17-11-9-13(12-4-2-1-3-5-12)8-10-16-15(18)14-6-7-14/h1-5,13-14,17H,6-11H2,(H,16,18)/t13-/m0/s1
InChIKeyUMTOKQOSJWJEQF-ZDUSSCGKSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
1-cyclohexyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112417
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
CID 97054329
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112411
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
CID 129467437
N-[2-(3,3-diphenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51153212
1-(2-chlorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
CID 99872943
N-[(3R)-5-hydroxy-3-phenylpentyl]-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 99872934
N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide
CID 119326534
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide (CID 99872804) is N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide is O=C(NCC[C@@H](CCO)c1ccccc1)C1CC1.
What is the InChIKey of N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide?
The InChIKey is UMTOKQOSJWJEQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c17-11-9-13(12-4-2-1-3-5-12)8-10-16-15(18)14-6-7-14/h1-5,13-14,17H,6-11H2,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide?
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide is sourced from PubChem (CID 99872804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).