[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

C24H28N2O6 — CID 34415855

IUPAC[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)N(Cc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C24H28N2O6/c1-3-31-21-7-5-4-6-20(21)24(29)25-14-23(28)32-16-22(27)26(18-10-11-18)15-17-8-12-19(30-2)13-9-17/h4-9,12-13,18H,3,10-11,14-16H2,1-2H3,(H,25,29)
InChIKeyKYKTWXYCVMJHAA-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.56
Rot. Bonds11

About [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate

[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 34415855) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID34415855
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCC(=O)N(Cc1ccc(OC)cc1)C1CC1
InChIInChI=1S/C24H28N2O6/c1-3-31-21-7-5-4-6-20(21)24(29)25-14-23(28)32-16-22(27)26(18-10-11-18)15-17-8-12-19(30-2)13-9-17/h4-9,12-13,18H,3,10-11,14-16H2,1-2H3,(H,25,29)
InChIKeyKYKTWXYCVMJHAA-UHFFFAOYSA-N
XLogP2.56
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate 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-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884
2-ethoxy-N-[2-[ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55593757
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 55401274
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807760
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 11916526
2-[cyclopropyl-[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 120517637
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 18201195
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 35647240

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate (CID 34415855) is [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N(Cc1ccc(OC)cc1)C1CC1.
What is the InChIKey of [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is KYKTWXYCVMJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-3-31-21-7-5-4-6-20(21)24(29)25-14-23(28)32-16-22(27)26(18-10-11-18)15-17-8-12-19(30-2)13-9-17/h4-9,12-13,18H,3,10-11,14-16H2,1-2H3,(H,25,29).
What are the key properties of [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate?
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 440.50 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 34415855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).