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

C20H22N2O2 — CID 71999049

IUPACN-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
SMILESCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-22(17-10-6-3-7-11-17)20(24)18(21-19(23)16-12-13-16)14-15-8-4-2-5-9-15/h2-11,16,18H,12-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyQWUOXZOSJQIVQV-SFHVURJKSA-N
MW322.41 g/mol
LogP2.79
Rot. Bonds6

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

N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide (PubChem CID 71999049) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
PubChem CID71999049
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
SMILESCN(C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-22(17-10-6-3-7-11-17)20(24)18(21-19(23)16-12-13-16)14-15-8-4-2-5-9-15/h2-11,16,18H,12-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyQWUOXZOSJQIVQV-SFHVURJKSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-1-N,3-N-bis[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopentane-1,3-dicarboxamide
CID 122647183
N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
CID 134344790
4-(aminomethyl)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 14837094
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
tert-butyl N-[1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 42943863
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide;hydrochloride
CID 119805943
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
4-(methylamino)-N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 119805944
ethanol;(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid
CID 68836892

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide (CID 71999049) is N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide is CN(C(=O)[C@H](Cc1ccccc1)NC(=O)C1CC1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide?
The InChIKey is QWUOXZOSJQIVQV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22(17-10-6-3-7-11-17)20(24)18(21-19(23)16-12-13-16)14-15-8-4-2-5-9-15/h2-11,16,18H,12-14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide?
N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71999049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).