[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

C20H21N3O6 — CID 7899536

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H21N3O6/c1-2-28-16-9-5-14(6-10-16)20(27)22-11-18(25)29-12-17(24)23-15-7-3-13(4-8-15)19(21)26/h3-10H,2,11-12H2,1H3,(H2,21,26)(H,22,27)(H,23,24)
InChIKeyBVKDWVZHEGVLHT-UHFFFAOYSA-N
MW399.40 g/mol
LogP1.10
Rot. Bonds9

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7899536) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7899536
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C20H21N3O6/c1-2-28-16-9-5-14(6-10-16)20(27)22-11-18(25)29-12-17(24)23-15-7-3-13(4-8-15)19(21)26/h3-10H,2,11-12H2,1H3,(H2,21,26)(H,22,27)(H,23,24)
InChIKeyBVKDWVZHEGVLHT-UHFFFAOYSA-N
XLogP1.10
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-(3-methylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 2389753
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 42963640
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29155297
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345710
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35653450
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066239
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884570
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 7899536) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is BVKDWVZHEGVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-2-28-16-9-5-14(6-10-16)20(27)22-11-18(25)29-12-17(24)23-15-7-3-13(4-8-15)19(21)26/h3-10H,2,11-12H2,1H3,(H2,21,26)(H,22,27)(H,23,24).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 399.40 g/mol, XLogP of 1.10, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7899536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).