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

C21H24N2O4 — CID 113176071

IUPACmethyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)CN(C(C)=O)c1ccccc1C(=O)OC
InChIInChI=1S/C21H24N2O4/c1-4-22(14-17-10-6-5-7-11-17)20(25)15-23(16(2)24)19-13-9-8-12-18(19)21(26)27-3/h5-13H,4,14-15H2,1-3H3
InChIKeyMPRKHYLADOQVFO-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.87
Rot. Bonds7

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

methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate (PubChem CID 113176071) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
PubChem CID113176071
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
SMILESCCN(Cc1ccccc1)C(=O)CN(C(C)=O)c1ccccc1C(=O)OC
InChIInChI=1S/C21H24N2O4/c1-4-22(14-17-10-6-5-7-11-17)20(25)15-23(16(2)24)19-13-9-8-12-18(19)21(26)27-3/h5-13H,4,14-15H2,1-3H3
InChIKeyMPRKHYLADOQVFO-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

methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
CID 113131236
methyl 2-[acetyl-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]amino]benzoate
CID 113176097
ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 113180526
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
methyl 2-[[2-(N-acetyl-2-ethoxycarbonylanilino)acetyl]amino]benzoate
CID 113180607
methyl 2-[acetyl-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]amino]benzoate
CID 113176089
3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
CID 113125190
methyl 2-[acetyl-[3-oxo-3-(3-phenylpropylamino)propyl]amino]benzoate
CID 113131252
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
methyl 2-[acetyl-(4-ethoxy-4-oxobutyl)amino]benzoate
CID 139237456
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
methyl 2-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176131

Frequently Asked Questions

What is the IUPAC name of methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate (CID 113176071) is methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate is CCN(Cc1ccccc1)C(=O)CN(C(C)=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate?
The InChIKey is MPRKHYLADOQVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-22(14-17-10-6-5-7-11-17)20(25)15-23(16(2)24)19-13-9-8-12-18(19)21(26)27-3/h5-13H,4,14-15H2,1-3H3.
What are the key properties of methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate?
methyl 2-[acetyl-[2-[benzyl(ethyl)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 methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 113176071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).