(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide

C14H18N2O3 — CID 89347210

IUPAC(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CO1
InChIInChI=1S/C14H18N2O3/c1-16(2)14(18)11(15-13(17)12-9-19-12)8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyTYQIUCMLYBTPNC-RYUDHWBXSA-N
MW262.31 g/mol
LogP0.20
Rot. Bonds5

About (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide

(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide (PubChem CID 89347210) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
PubChem CID89347210
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CO1
InChIInChI=1S/C14H18N2O3/c1-16(2)14(18)11(15-13(17)12-9-19-12)8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,15,17)/t11-,12-/m0/s1
InChIKeyTYQIUCMLYBTPNC-RYUDHWBXSA-N
XLogP0.20
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(dihydroxymethyl)-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide
CID 54412017
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
4-(aminomethyl)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 14837094
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42816610
N-[(2S)-1-(N-methylanilino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 71999049
(2S)-2-acetamido-2-cyclopropyl-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 11810108
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(methylamino)butanamide
CID 119780816
(2S)-2-(oxane-2-carbonylamino)-3-phenylpropanoic acid
CID 62213678
(3S)-2-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-(2-pyridin-2-ylethyl)oxirane-2,3-dicarboxamide
CID 59094111
9H-fluoren-9-ylmethyl N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 163290440
(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 104979108
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide (CID 89347210) is (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide is CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CO1.
What is the InChIKey of (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide?
The InChIKey is TYQIUCMLYBTPNC-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-16(2)14(18)11(15-13(17)12-9-19-12)8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,15,17)/t11-,12-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide?
(2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxirane-2-carboxamide is sourced from PubChem (CID 89347210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).