ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate

C21H24N2O5 — CID 113064049

IUPACethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CCNC(=O)c1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C21H24N2O5/c1-4-28-21(26)18-7-5-6-8-19(18)23(15(2)24)14-13-22-20(25)16-9-11-17(27-3)12-10-16/h5-12H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyANEJEKVIAWIQQB-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.65
Rot. Bonds8

About ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate

ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate (PubChem CID 113064049) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
PubChem CID113064049
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Nameethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CCNC(=O)c1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C21H24N2O5/c1-4-28-21(26)18-7-5-6-8-19(18)23(15(2)24)14-13-22-20(25)16-9-11-17(27-3)12-10-16/h5-12H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyANEJEKVIAWIQQB-UHFFFAOYSA-N
XLogP2.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
CID 113064040
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 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353
methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate?
The IUPAC name of ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate (CID 113064049) is ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate is CCOC(=O)c1ccccc1N(CCNC(=O)c1ccc(OC)cc1)C(C)=O.
What is the InChIKey of ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate?
The InChIKey is ANEJEKVIAWIQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-28-21(26)18-7-5-6-8-19(18)23(15(2)24)14-13-22-20(25)16-9-11-17(27-3)12-10-16/h5-12H,4,13-14H2,1-3H3,(H,22,25).
What are the key properties of ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate?
ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate has a molecular weight of 384.43 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate is sourced from PubChem (CID 113064049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).