N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide

C13H15NO2 — CID 142081270

IUPACN-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C13H15NO2/c15-9-12(14-13(16)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,14,16)
InChIKeyGMRJABHHQMJZIO-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.32
Rot. Bonds5

About N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide

N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide (PubChem CID 142081270) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
PubChem CID142081270
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C13H15NO2/c15-9-12(14-13(16)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,14,16)
InChIKeyGMRJABHHQMJZIO-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,4R)-N-[(2R)-1-oxo-3-phenylpropan-2-yl]-4-propan-2-ylcycloheptane-1-carboxamide
CID 143582761
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
4-[(1-cyclopropyl-2-phenylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673788
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
N-[(2S)-4-chloro-3,5-dioxo-1-phenylpentan-2-yl]cyclohexanecarboxamide
CID 54551967
4-benzoyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 20666681
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide (CID 142081270) is N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide is O=CC(Cc1ccccc1)NC(=O)C1CC1.
What is the InChIKey of N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide?
The InChIKey is GMRJABHHQMJZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-9-12(14-13(16)11-6-7-11)8-10-4-2-1-3-5-10/h1-5,9,11-12H,6-8H2,(H,14,16).
What are the key properties of N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide?
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 142081270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).