methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate

C20H23ClN2O4 — CID 109025317

IUPACmethyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NCCC(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C20H23ClN2O4/c1-26-18-6-4-3-5-14(18)9-11-23-19(24)10-12-22-17-13-15(20(25)27-2)7-8-16(17)21/h3-8,13,22H,9-12H2,1-2H3,(H,23,24)
InChIKeyDRWAEWVTXWXNJP-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.30
Rot. Bonds9

About methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate

methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate (PubChem CID 109025317) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
PubChem CID109025317
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Namemethyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NCCC(=O)NCCc2ccccc2OC)c1
InChIInChI=1S/C20H23ClN2O4/c1-26-18-6-4-3-5-14(18)9-11-23-19(24)10-12-22-17-13-15(20(25)27-2)7-8-16(17)21/h3-8,13,22H,9-12H2,1-2H3,(H,23,24)
InChIKeyDRWAEWVTXWXNJP-UHFFFAOYSA-N
XLogP3.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate with MolForge

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Related Compounds

3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025345
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
methyl 4-chloro-3-[[3-(3-methoxypropylamino)-3-oxopropyl]amino]benzoate
CID 109015451
methyl 3-methoxy-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoate
CID 8808009
methyl 4-chloro-3-[3-(2-ethylanilino)propanoylamino]benzoate
CID 109036221
3-(2-chloro-4,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025293
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024771
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
methyl 4-chloro-3-[[3-oxo-3-(1-phenylethylamino)propyl]amino]benzoate
CID 109020176
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate (CID 109025317) is methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NCCC(=O)NCCc2ccccc2OC)c1.
What is the InChIKey of methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate?
The InChIKey is DRWAEWVTXWXNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-26-18-6-4-3-5-14(18)9-11-23-19(24)10-12-22-17-13-15(20(25)27-2)7-8-16(17)21/h3-8,13,22H,9-12H2,1-2H3,(H,23,24).
What are the key properties of methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate?
methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate has a molecular weight of 390.87 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate is sourced from PubChem (CID 109025317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).