[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate

C20H22N2O4 — CID 7747785

IUPAC[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C20H22N2O4/c1-12-5-6-17(15(4)8-12)21-20(25)22-18(23)11-26-19(24)16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3,(H2,21,22,23,25)
InChIKeyJCJHWWWUGXLIMZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.43
Rot. Bonds4

About [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate (PubChem CID 7747785) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate
PubChem CID7747785
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C20H22N2O4/c1-12-5-6-17(15(4)8-12)21-20(25)22-18(23)11-26-19(24)16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3,(H2,21,22,23,25)
InChIKeyJCJHWWWUGXLIMZ-UHFFFAOYSA-N
XLogP3.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-bromobenzoate
CID 2625552
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523545
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193555
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557277
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536890
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728554
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768483
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate
CID 7261672
cis-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7776614
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-nitrobenzoate
CID 2619259
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233751

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate?
The IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate (CID 7747785) is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate?
The canonical SMILES for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate is Cc1cc(C)cc(C(=O)OCC(=O)NC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate?
The InChIKey is JCJHWWWUGXLIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-5-6-17(15(4)8-12)21-20(25)22-18(23)11-26-19(24)16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3,(H2,21,22,23,25).
What are the key properties of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate?
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate has a molecular weight of 354.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate is sourced from PubChem (CID 7747785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).