[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate

C20H22N2O4 — CID 46619422

IUPAC[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)NC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C20H22N2O4/c1-13-9-10-17(14(2)11-13)19(24)26-15(3)18(23)22-20(25)21-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H2,21,22,23,25)
InChIKeyIKECSNJRODURFA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.87
Rot. Bonds5

About [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate (PubChem CID 46619422) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
PubChem CID46619422
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OC(C)C(=O)NC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C20H22N2O4/c1-13-9-10-17(14(2)11-13)19(24)26-15(3)18(23)22-20(25)21-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H2,21,22,23,25)
InChIKeyIKECSNJRODURFA-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate with MolForge

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Related Compounds

[1-(benzylamino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 42969454
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8625557
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 55423610
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 8958752
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382459
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959179
N-(benzylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 46789422
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethylbenzoate
CID 8647828
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 46619463
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958469
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27196909
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate
CID 18123327

Frequently Asked Questions

What is the IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate (CID 46619422) is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate.
What is the SMILES notation for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The canonical SMILES for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate is Cc1ccc(C(=O)OC(C)C(=O)NC(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
The InChIKey is IKECSNJRODURFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-9-10-17(14(2)11-13)19(24)26-15(3)18(23)22-20(25)21-12-16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H2,21,22,23,25).
What are the key properties of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate?
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate has a molecular weight of 354.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate is sourced from PubChem (CID 46619422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).