methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

C19H22N2O3 — CID 94183054

IUPACmethyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H22N2O3/c1-13-8-7-11-16(14(13)2)20-18(22)17(21-19(23)24-3)12-15-9-5-4-6-10-15/h4-11,17H,12H2,1-3H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyQNGRFXKUQOLFTR-QGZVFWFLSA-N
MW326.40 g/mol
LogP3.21
Rot. Bonds5

About methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 94183054) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID94183054
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCOC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H22N2O3/c1-13-8-7-11-16(14(13)2)20-18(22)17(21-19(23)24-3)12-15-9-5-4-6-10-15/h4-11,17H,12H2,1-3H3,(H,20,22)(H,21,23)/t17-/m1/s1
InChIKeyQNGRFXKUQOLFTR-QGZVFWFLSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-[1-(2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142869177
(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 40792237
methyl N-[(2R)-1-(methoxyamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10682227
benzyl N-[(2S)-1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55939917
(2R)-N-(2,3-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537354
tert-butyl N-[1-oxo-3-phenyl-1-(2-propan-2-ylanilino)propan-2-yl]carbamate
CID 134100809
(2R)-2-(methoxycarbonylamino)-3-phenylpropanethioic S-acid
CID 149453247
methyl N-[(2S)-4-methyl-1-[2-methyl-3-(propanoylamino)anilino]-1-oxopentan-2-yl]carbamate
CID 94797775
(2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307321
benzyl 2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]benzoate
CID 10552473
methyl 2-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 95059519
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 94183054) is methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate is COC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is QNGRFXKUQOLFTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-8-7-11-16(14(13)2)20-18(22)17(21-19(23)24-3)12-15-9-5-4-6-10-15/h4-11,17H,12H2,1-3H3,(H,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate?
methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 94183054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).