N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide

C15H21NO2 — CID 99832557

IUPACN-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide
SMILESCc1cccc(C[C@@H](CO)NC(=O)C2CCC2)c1
InChIInChI=1S/C15H21NO2/c1-11-4-2-5-12(8-11)9-14(10-17)16-15(18)13-6-3-7-13/h2,4-5,8,13-14,17H,3,6-7,9-10H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeySFFAJVQNAFQCHR-AWEZNQCLSA-N
MW247.34 g/mol
LogP1.81
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide

N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide (PubChem CID 99832557) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide
PubChem CID99832557
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide
SMILESCc1cccc(C[C@@H](CO)NC(=O)C2CCC2)c1
InChIInChI=1S/C15H21NO2/c1-11-4-2-5-12(8-11)9-14(10-17)16-15(18)13-6-3-7-13/h2,4-5,8,13-14,17H,3,6-7,9-10H2,1H3,(H,16,18)/t14-/m0/s1
InChIKeySFFAJVQNAFQCHR-AWEZNQCLSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
(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
N-[(2S)-1-hydroxy-3-(4-methylphenyl)propan-2-yl]cyclopent-3-ene-1-carboxamide
CID 99778730
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide
CID 113272332
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779429
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide (CID 99832557) is N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide is Cc1cccc(C[C@@H](CO)NC(=O)C2CCC2)c1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide?
The InChIKey is SFFAJVQNAFQCHR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-2-5-12(8-11)9-14(10-17)16-15(18)13-6-3-7-13/h2,4-5,8,13-14,17H,3,6-7,9-10H2,1H3,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide?
N-[(2S)-1-hydroxy-3-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.81, 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-(3-methylphenyl)propan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 99832557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).