methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate

C19H25NO4 — CID 95278927

IUPACmethyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC)CCCCC1
InChIInChI=1S/C19H25NO4/c1-23-16-9-5-4-8-13(16)14-12-15(14)17(21)20-19(18(22)24-2)10-6-3-7-11-19/h4-5,8-9,14-15H,3,6-7,10-12H2,1-2H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyXVGJOUPRSOFOJR-CABCVRRESA-N
MW331.41 g/mol
LogP2.79
Rot. Bonds5

About methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate

methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 95278927) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate
PubChem CID95278927
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Namemethyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC)CCCCC1
InChIInChI=1S/C19H25NO4/c1-23-16-9-5-4-8-13(16)14-12-15(14)17(21)20-19(18(22)24-2)10-6-3-7-11-19/h4-5,8-9,14-15H,3,6-7,10-12H2,1-2H3,(H,20,21)/t14-,15+/m1/s1
InChIKeyXVGJOUPRSOFOJR-CABCVRRESA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate (CID 95278927) is methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)[C@H]2C[C@@H]2c2ccccc2OC)CCCCC1.
What is the InChIKey of methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is XVGJOUPRSOFOJR-CABCVRRESA-N. The full InChI is InChI=1S/C19H25NO4/c1-23-16-9-5-4-8-13(16)14-12-15(14)17(21)20-19(18(22)24-2)10-6-3-7-11-19/h4-5,8-9,14-15H,3,6-7,10-12H2,1-2H3,(H,20,21)/t14-,15+/m1/s1.
What are the key properties of methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 95278927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).