N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide

C16H21NO2 — CID 97054329

IUPACN-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NC[C@@H](CCO)c1ccccc1)C1CC=CC1
InChIInChI=1S/C16H21NO2/c18-11-10-15(13-6-2-1-3-7-13)12-17-16(19)14-8-4-5-9-14/h1-7,14-15,18H,8-12H2,(H,17,19)/t15-/m1/s1
InChIKeyVDIOGWRBQPCWJH-OAHLLOKOSA-N
MW259.35 g/mol
LogP2.23
Rot. Bonds6

About N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide

N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide (PubChem CID 97054329) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
PubChem CID97054329
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NC[C@@H](CCO)c1ccccc1)C1CC=CC1
InChIInChI=1S/C16H21NO2/c18-11-10-15(13-6-2-1-3-7-13)12-17-16(19)14-8-4-5-9-14/h1-7,14-15,18H,8-12H2,(H,17,19)/t15-/m1/s1
InChIKeyVDIOGWRBQPCWJH-OAHLLOKOSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(2R)-4-hydroxy-2-phenylbutyl]pyrrolidine-3-carboxamide
CID 129467437
N-(4-hydroxy-2-phenylbutyl)piperidine-3-carboxamide
CID 119326534
N-[(3S)-5-hydroxy-3-phenylpentyl]cyclopropanecarboxamide
CID 99872804
1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111506748
N-[(1R)-2-hydroxy-1-phenylethyl]cyclopent-3-ene-1-carboxamide
CID 113258888
3-amino-N-(4-hydroxy-2-phenylbutyl)-3-phenylpropanamide
CID 119951620
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111455877
1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455932
(1S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730513
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730507
5-[(4-hydroxy-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685644

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide (CID 97054329) is N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide is O=C(NC[C@@H](CCO)c1ccccc1)C1CC=CC1.
What is the InChIKey of N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is VDIOGWRBQPCWJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21NO2/c18-11-10-15(13-6-2-1-3-7-13)12-17-16(19)14-8-4-5-9-14/h1-7,14-15,18H,8-12H2,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide?
N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-hydroxy-2-phenylbutyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 97054329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).