ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate

C20H22N2O4 — CID 113064040

IUPACethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CCNC(=O)c1ccccc1)C(C)=O
InChIInChI=1S/C20H22N2O4/c1-3-26-20(25)17-11-7-8-12-18(17)22(15(2)23)14-13-21-19(24)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,24)
InChIKeyRRGYHONJKWNJNO-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.65
Rot. Bonds7

About ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate

ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate (PubChem CID 113064040) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
PubChem CID113064040
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Nameethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CCNC(=O)c1ccccc1)C(C)=O
InChIInChI=1S/C20H22N2O4/c1-3-26-20(25)17-11-7-8-12-18(17)22(15(2)23)14-13-21-19(24)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,24)
InChIKeyRRGYHONJKWNJNO-UHFFFAOYSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113064049
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113061891
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate?
The IUPAC name of ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate (CID 113064040) is ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate?
The canonical SMILES for ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate is CCOC(=O)c1ccccc1N(CCNC(=O)c1ccccc1)C(C)=O.
What is the InChIKey of ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate?
The InChIKey is RRGYHONJKWNJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-20(25)17-11-7-8-12-18(17)22(15(2)23)14-13-21-19(24)16-9-5-4-6-10-16/h4-12H,3,13-14H2,1-2H3,(H,21,24).
What are the key properties of ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate?
ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate has a molecular weight of 354.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate is sourced from PubChem (CID 113064040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).