[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate

C20H21ClN2O5 — CID 7827367

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O5/c1-2-27-17-6-4-3-5-16(17)23-18(24)13-28-19(25)11-12-22-20(26)14-7-9-15(21)10-8-14/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyRRFXKGJLKULIHD-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.04
Rot. Bonds9

About [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate

[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate (PubChem CID 7827367) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
PubChem CID7827367
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
SMILESCCOc1ccccc1NC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O5/c1-2-27-17-6-4-3-5-16(17)23-18(24)13-28-19(25)11-12-22-20(26)14-7-9-15(21)10-8-14/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,24)
InChIKeyRRFXKGJLKULIHD-UHFFFAOYSA-N
XLogP3.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827400
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 30386129
[2-(2-ethoxyanilino)-2-oxoethyl] 3-(2,5-dichlorophenyl)sulfonylpropanoate
CID 17260707
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827357
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35777078
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate
CID 30029948
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 31145900
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
[2-(2-ethoxyanilino)-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7472435
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731134
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate (CID 7827367) is [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate is CCOc1ccccc1NC(=O)COC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
The InChIKey is RRFXKGJLKULIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-2-27-17-6-4-3-5-16(17)23-18(24)13-28-19(25)11-12-22-20(26)14-7-9-15(21)10-8-14/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate?
[2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate has a molecular weight of 404.85 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 7827367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).