ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate

C21H24N2O4 — CID 113180526

IUPACethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC(=O)N(C)Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H24N2O4/c1-4-27-21(26)18-12-8-9-13-19(18)23(16(2)24)15-20(25)22(3)14-17-10-6-5-7-11-17/h5-13H,4,14-15H2,1-3H3
InChIKeyZLLHBORUZJFCGF-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.87
Rot. Bonds7

About ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate

ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate (PubChem CID 113180526) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
PubChem CID113180526
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1N(CC(=O)N(C)Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H24N2O4/c1-4-27-21(26)18-12-8-9-13-19(18)23(16(2)24)15-20(25)22(3)14-17-10-6-5-7-11-17/h5-13H,4,14-15H2,1-3H3
InChIKeyZLLHBORUZJFCGF-UHFFFAOYSA-N
XLogP2.87
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113174995
methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 113176071
2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
CID 113180655
methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
CID 113176097
ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
CID 11690046
methyl 2-[[2-(N-acetyl-2-ethoxycarbonylanilino)acetyl]amino]benzoate
CID 113180607
methyl 3-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176531
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
CID 113064040
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113179355
ethyl 2-[(2-isocyanatoacetyl)-[2-(N-methylanilino)-2-oxoethyl]amino]benzoate
CID 19001929
methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
CID 113131236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate (CID 113180526) is ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccccc1N(CC(=O)N(C)Cc1ccccc1)C(C)=O.
What is the InChIKey of ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate?
The InChIKey is ZLLHBORUZJFCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-27-21(26)18-12-8-9-13-19(18)23(16(2)24)15-20(25)22(3)14-17-10-6-5-7-11-17/h5-13H,4,14-15H2,1-3H3.
What are the key properties of ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate?
ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113180526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).