[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

C21H24ClNO6 — CID 8019120

IUPAC[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)OCC(=O)NCc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C21H24ClNO6/c1-26-17-10-14(11-18(27-2)21(17)28-3)7-8-20(25)29-13-19(24)23-12-15-5-4-6-16(22)9-15/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,24)
InChIKeyIGBBGJXLSNIDMX-UHFFFAOYSA-N
MW421.88 g/mol
LogP3.16
Rot. Bonds10

About [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (PubChem CID 8019120) has the molecular formula C21H24ClNO6 and a molecular weight of 421.88 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
PubChem CID8019120
Molecular FormulaC21H24ClNO6
Molecular Weight421.88 g/mol
Exact Mass421.13
IUPAC Name[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
SMILESCOc1cc(CCC(=O)OCC(=O)NCc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C21H24ClNO6/c1-26-17-10-14(11-18(27-2)21(17)28-3)7-8-20(25)29-13-19(24)23-12-15-5-4-6-16(22)9-15/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,24)
InChIKeyIGBBGJXLSNIDMX-UHFFFAOYSA-N
XLogP3.16
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019343
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
[2-(3-ethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019117
[2-(benzylamino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325328
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 55316485
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981876
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286
[2-(furan-2-carbonylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 25290254
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 55367733

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate (CID 8019120) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.
What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is COc1cc(CCC(=O)OCC(=O)NCc2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
The InChIKey is IGBBGJXLSNIDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO6/c1-26-17-10-14(11-18(27-2)21(17)28-3)7-8-20(25)29-13-19(24)23-12-15-5-4-6-16(22)9-15/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,24).
What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate?
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate has a molecular weight of 421.88 g/mol, XLogP of 3.16, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate is sourced from PubChem (CID 8019120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).