N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide

C16H21NO2 — CID 99778730

IUPACN-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide
SMILESCc1ccc(C[C@@H](CO)NC(=O)C2CC=CC2)cc1
InChIInChI=1S/C16H21NO2/c1-12-6-8-13(9-7-12)10-15(11-18)17-16(19)14-4-2-3-5-14/h2-3,6-9,14-15,18H,4-5,10-11H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyKFMOFYQFISMJNU-HNNXBMFYSA-N
MW259.35 g/mol
LogP1.98
Rot. Bonds5

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

N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide (PubChem CID 99778730) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide
PubChem CID99778730
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide
SMILESCc1ccc(C[C@@H](CO)NC(=O)C2CC=CC2)cc1
InChIInChI=1S/C16H21NO2/c1-12-6-8-13(9-7-12)10-15(11-18)17-16(19)14-4-2-3-5-14/h2-3,6-9,14-15,18H,4-5,10-11H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyKFMOFYQFISMJNU-HNNXBMFYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.98
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

N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 91339550
N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide
CID 99832557
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide (CID 99778730) is N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide is Cc1ccc(C[C@@H](CO)NC(=O)C2CC=CC2)cc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide?
The InChIKey is KFMOFYQFISMJNU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-6-8-13(9-7-12)10-15(11-18)17-16(19)14-4-2-3-5-14/h2-3,6-9,14-15,18H,4-5,10-11H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide?
N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 99778730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).