(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide

C20H24N4O3 — CID 40792237

IUPAC(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1C
InChIInChI=1S/C20H24N4O3/c1-13-7-6-10-16(14(13)2)23-18(25)12-22-19(26)17(24-20(21)27)11-15-8-4-3-5-9-15/h3-10,17H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H3,21,24,27)/t17-/m1/s1
InChIKeyFCINYWLKNRCXQM-QGZVFWFLSA-N
MW368.44 g/mol
LogP1.64
Rot. Bonds7

About (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide

(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 40792237) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
PubChem CID40792237
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1C
InChIInChI=1S/C20H24N4O3/c1-13-7-6-10-16(14(13)2)23-18(25)12-22-19(26)17(24-20(21)27)11-15-8-4-3-5-9-15/h3-10,17H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H3,21,24,27)/t17-/m1/s1
InChIKeyFCINYWLKNRCXQM-QGZVFWFLSA-N
XLogP1.64
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2R)-1-(2,3-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 94183054
N-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 41320207
[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158810
[1-[2-[2-(2,3-dimethylphenoxy)propanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158764
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
CID 18161294
N-[1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17490654
(2S)-2-amino-N-[2-[[(2S)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 102315829
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 119268365
(3S)-N-(2,3-dimethylphenyl)-3-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]butanamide
CID 97232167
(2R)-N-(2,3-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537354
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 112996724

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide (CID 40792237) is (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide is Cc1cccc(NC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1C.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is FCINYWLKNRCXQM-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-7-6-10-16(14(13)2)23-18(25)12-22-19(26)17(24-20(21)27)11-15-8-4-3-5-9-15/h3-10,17H,11-12H2,1-2H3,(H,22,26)(H,23,25)(H3,21,24,27)/t17-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide?
(2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 368.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 40792237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).