N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide

C14H19NO — CID 844321

IUPACN-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C14H19NO/c1-11(15-14(16)13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyPFQYHRVJCPCDJG-NSHDSACASA-N
MW217.31 g/mol
LogP2.53
Rot. Bonds5

About N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide

N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide (PubChem CID 844321) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
PubChem CID844321
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C14H19NO/c1-11(15-14(16)13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16)/t11-/m0/s1
InChIKeyPFQYHRVJCPCDJG-NSHDSACASA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-acetyl-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 71785218
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
(2S)-4-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 142848800
(2R,3R)-3-[[(2R)-4-phenylbutan-2-yl]carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 124771454
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
(1S,6R)-3,4-dimethyl-6-[[(2S)-4-phenylbutan-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 7409293
4-(1,3-diphenylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674093
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 143582759
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide (CID 844321) is N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide is C[C@@H](CCc1ccccc1)NC(=O)C1CC1.
What is the InChIKey of N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide?
The InChIKey is PFQYHRVJCPCDJG-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO/c1-11(15-14(16)13-9-10-13)7-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide?
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide has a molecular weight of 217.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 844321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).