methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate

C20H21NO4 — CID 134038073

IUPACmethyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-19(23)15-7-9-17(10-8-15)25-13-18(22)21-14-20(11-12-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22)
InChIKeyGDUSJKASBNITMY-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.70
Rot. Bonds7

About methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate

methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate (PubChem CID 134038073) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
PubChem CID134038073
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCC(=O)NCC2(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H21NO4/c1-24-19(23)15-7-9-17(10-8-15)25-13-18(22)21-14-20(11-12-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22)
InChIKeyGDUSJKASBNITMY-UHFFFAOYSA-N
XLogP2.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate 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-(4-cyanophenoxy)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 17437937
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
methyl 4-[(E)-3-oxo-3-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethoxy]prop-1-enyl]benzoate
CID 31260462
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 30664714
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
2-(2-phenoxyethoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 55759227
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 171132856
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 4-methylsulfinylbenzoate
CID 55525643
methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate
CID 134001978

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate?
The IUPAC name of methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate (CID 134038073) is methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate is COC(=O)c1ccc(OCC(=O)NCC2(c3ccccc3)CC2)cc1.
What is the InChIKey of methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate?
The InChIKey is GDUSJKASBNITMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-19(23)15-7-9-17(10-8-15)25-13-18(22)21-14-20(11-12-20)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22).
What are the key properties of methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate?
methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate has a molecular weight of 339.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethoxy]benzoate is sourced from PubChem (CID 134038073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).