[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate

C27H29NO6 — CID 27893431

IUPAC[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO6/c1-31-23-16-25(33-3)24(32-2)14-21(23)17-28-26(29)18-34-27(30)15-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-14,16,22H,15,17-18H2,1-3H3,(H,28,29)
InChIKeyZBVZYXXPALXYAW-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.09
Rot. Bonds11

About [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate (PubChem CID 27893431) has the molecular formula C27H29NO6 and a molecular weight of 463.53 g/mol. Its IUPAC name is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
PubChem CID27893431
Molecular FormulaC27H29NO6
Molecular Weight463.53 g/mol
Exact Mass463.20
IUPAC Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)COC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO6/c1-31-23-16-25(33-3)24(32-2)14-21(23)17-28-26(29)18-34-27(30)15-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-14,16,22H,15,17-18H2,1-3H3,(H,28,29)
InChIKeyZBVZYXXPALXYAW-UHFFFAOYSA-N
XLogP4.09
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate 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-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2-(methylamino)benzoate
CID 9289451
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690630
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
CID 9230124
2-naphthalen-2-yloxy-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 7583241
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3,3-diphenylpropanoate
CID 9289846
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 2520755
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate (CID 27893431) is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate is COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate?
The InChIKey is ZBVZYXXPALXYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO6/c1-31-23-16-25(33-3)24(32-2)14-21(23)17-28-26(29)18-34-27(30)15-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-14,16,22H,15,17-18H2,1-3H3,(H,28,29).
What are the key properties of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate?
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate has a molecular weight of 463.53 g/mol, XLogP of 4.09, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 27893431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).