[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

C23H25ClN2O4 — CID 55541254

IUPAC[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)NC(c1ccccc1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN2O4/c1-15(27)25-20(16-9-11-19(24)12-10-16)13-22(29)30-14-21(28)26-23(18-7-8-18)17-5-3-2-4-6-17/h2-6,9-12,18,20,23H,7-8,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyFGASBYRZIIWELH-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.72
Rot. Bonds9

About [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (PubChem CID 55541254) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
PubChem CID55541254
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
SMILESCC(=O)NC(CC(=O)OCC(=O)NC(c1ccccc1)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN2O4/c1-15(27)25-20(16-9-11-19(24)12-10-16)13-22(29)30-14-21(28)26-23(18-7-8-18)17-5-3-2-4-6-17/h2-6,9-12,18,20,23H,7-8,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyFGASBYRZIIWELH-UHFFFAOYSA-N
XLogP3.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate with MolForge

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46608740
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 55525250
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-benzamido-3-phenylpropanoate
CID 55307356
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
[2-(dimethylamino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 46818754
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030544
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55380231

Frequently Asked Questions

What is the IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The IUPAC name of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate (CID 55541254) is [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The canonical SMILES for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is CC(=O)NC(CC(=O)OCC(=O)NC(c1ccccc1)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
The InChIKey is FGASBYRZIIWELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-15(27)25-20(16-9-11-19(24)12-10-16)13-22(29)30-14-21(28)26-23(18-7-8-18)17-5-3-2-4-6-17/h2-6,9-12,18,20,23H,7-8,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate?
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate has a molecular weight of 428.92 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 55541254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).