[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate

C24H28N2O5 — CID 55541862

IUPAC[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
SMILESCOc1ccc(C(NC(=O)COC(=O)CCNC(=O)c2ccccc2C)C2CC2)cc1
InChIInChI=1S/C24H28N2O5/c1-16-5-3-4-6-20(16)24(29)25-14-13-22(28)31-15-21(27)26-23(17-7-8-17)18-9-11-19(30-2)12-10-18/h3-6,9-12,17,23H,7-8,13-15H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyYAXVQCYKUWOPBV-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.93
Rot. Bonds10

About [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate

[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate (PubChem CID 55541862) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
PubChem CID55541862
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
SMILESCOc1ccc(C(NC(=O)COC(=O)CCNC(=O)c2ccccc2C)C2CC2)cc1
InChIInChI=1S/C24H28N2O5/c1-16-5-3-4-6-20(16)24(29)25-14-13-22(28)31-15-21(27)26-23(17-7-8-17)18-9-11-19(30-2)12-10-18/h3-6,9-12,17,23H,7-8,13-15H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyYAXVQCYKUWOPBV-UHFFFAOYSA-N
XLogP2.93
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]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-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 55426216
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55525398
N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide
CID 18090462
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 55426217
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55525266
N-[cyclopropyl(phenyl)methyl]-2-methylbenzamide
CID 51295877
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate?
The IUPAC name of [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate (CID 55541862) is [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate.
What is the SMILES notation for [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate?
The canonical SMILES for [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate is COc1ccc(C(NC(=O)COC(=O)CCNC(=O)c2ccccc2C)C2CC2)cc1.
What is the InChIKey of [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate?
The InChIKey is YAXVQCYKUWOPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-16-5-3-4-6-20(16)24(29)25-14-13-22(28)31-15-21(27)26-23(17-7-8-17)18-9-11-19(30-2)12-10-18/h3-6,9-12,17,23H,7-8,13-15H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate?
[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate has a molecular weight of 424.50 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 55541862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).