N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide

C15H21NO — CID 39952483

IUPACN-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
SMILESCC[C@H](CNC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c1-2-12(13-7-4-3-5-8-13)11-16-15(17)14-9-6-10-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyMZSJYSJYKPGAIH-GFCCVEGCSA-N
MW231.34 g/mol
LogP3.10
Rot. Bonds5

About N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide

N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide (PubChem CID 39952483) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
PubChem CID39952483
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
SMILESCC[C@H](CNC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c1-2-12(13-7-4-3-5-8-13)11-16-15(17)14-9-6-10-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyMZSJYSJYKPGAIH-GFCCVEGCSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 119271710
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
cis-(1S,2R)-2-[[(2S)-2-phenylbutyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 96564436
N-[(2R)-2-(diethylamino)-2-phenylethyl]cyclobutanecarboxamide
CID 51922888
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
N-[2-(dimethylamino)-2-phenylethyl]cyclohexanecarboxamide
CID 45001445
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
CID 134048628
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
1-(benzenesulfonyl)-N-(2-phenylbutyl)piperidine-2-carboxamide
CID 43017670
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976
1-(2-phenylbutylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75500959

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide (CID 39952483) is N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide is CC[C@H](CNC(=O)C1CCC1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide?
The InChIKey is MZSJYSJYKPGAIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-12(13-7-4-3-5-8-13)11-16-15(17)14-9-6-10-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide?
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide has a molecular weight of 231.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide is sourced from PubChem (CID 39952483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).