N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide

C14H18N2O2 — CID 54773713

IUPACN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C14H18N2O2/c1-15-14(18)12(16-13(17)11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyOTAHNBPWBHMUPF-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.87
Rot. Bonds5

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

N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide (PubChem CID 54773713) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
PubChem CID54773713
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C14H18N2O2/c1-15-14(18)12(16-13(17)11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyOTAHNBPWBHMUPF-UHFFFAOYSA-N
XLogP0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]cyclohexanecarboxamide
CID 7064689
(2S)-1-acetyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 71372548
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 71999049
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
ethanol;(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 68836892
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 78149656
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide (CID 54773713) is N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide is CNC(=O)C(Cc1ccccc1)NC(=O)C1CC1.
What is the InChIKey of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide?
The InChIKey is OTAHNBPWBHMUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-14(18)12(16-13(17)11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide?
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 54773713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).