[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate

C19H26N2O5 — CID 7840127

IUPAC[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H26N2O5/c1-13(18(23)21-19(24)20-15-8-4-3-5-9-15)26-17(22)12-14-7-6-10-16(11-14)25-2/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H2,20,21,23,24)/t13-/m0/s1
InChIKeyCNWJYNPYSIJNPX-ZDUSSCGKSA-N
MW362.43 g/mol
LogP2.33
Rot. Bonds6

About [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate (PubChem CID 7840127) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
PubChem CID7840127
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H26N2O5/c1-13(18(23)21-19(24)20-15-8-4-3-5-9-15)26-17(22)12-14-7-6-10-16(11-14)25-2/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H2,20,21,23,24)/t13-/m0/s1
InChIKeyCNWJYNPYSIJNPX-ZDUSSCGKSA-N
XLogP2.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)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

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013712
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063212
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 42900696
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8731275
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705394
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 40692975
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 37290830
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065157
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718286

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate?
The IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate (CID 7840127) is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1.
What is the InChIKey of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate?
The InChIKey is CNWJYNPYSIJNPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-13(18(23)21-19(24)20-15-8-4-3-5-9-15)26-17(22)12-14-7-6-10-16(11-14)25-2/h6-7,10-11,13,15H,3-5,8-9,12H2,1-2H3,(H2,20,21,23,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate?
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate has a molecular weight of 362.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 7840127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).