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

C20H21N3O5 — CID 40755424

IUPAC[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C20H21N3O5/c1-13-8-9-16(10-14(13)2)22-20(27)23-17(24)12-28-18(25)11-21-19(26)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChIKeyDBKRFVGEIDQONS-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.92
Rot. Bonds6

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

[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate (PubChem CID 40755424) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate
PubChem CID40755424
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1C
InChIInChI=1S/C20H21N3O5/c1-13-8-9-16(10-14(13)2)22-20(27)23-17(24)12-28-18(25)11-21-19(26)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChIKeyDBKRFVGEIDQONS-UHFFFAOYSA-N
XLogP1.92
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 31145131
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885017
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885307
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536890
[2-(4-iodoanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 2477229
[2-(4-hydroxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 27921499
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 6-acetamidohexanoate
CID 55734747
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885139
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27213272

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate (CID 40755424) is [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate is Cc1ccc(NC(=O)NC(=O)COC(=O)CNC(=O)c2ccccc2)cc1C.
What is the InChIKey of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is DBKRFVGEIDQONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-13-8-9-16(10-14(13)2)22-20(27)23-17(24)12-28-18(25)11-21-19(26)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,26)(H2,22,23,24,27).
What are the key properties of [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate?
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 383.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 40755424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).