[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C20H21N3O6 — CID 9345710

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21N3O6/c1-21-19(26)13-3-7-15(8-4-13)23-17(24)12-29-18(25)11-22-20(27)14-5-9-16(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,27)(H,23,24)
InChIKeyOAFPVBNTQJUJQP-UHFFFAOYSA-N
MW399.40 g/mol
LogP0.97
Rot. Bonds8

About [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 9345710) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID9345710
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H21N3O6/c1-21-19(26)13-3-7-15(8-4-13)23-17(24)12-29-18(25)11-22-20(27)14-5-9-16(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,27)(H,23,24)
InChIKeyOAFPVBNTQJUJQP-UHFFFAOYSA-N
XLogP0.97
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 27916887
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2116305
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30312687
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788004
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 31145131
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 2367160

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 9345710) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is CNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is OAFPVBNTQJUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-21-19(26)13-3-7-15(8-4-13)23-17(24)12-29-18(25)11-22-20(27)14-5-9-16(28-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,27)(H,23,24).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 399.40 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 9345710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).