methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate

C15H21NO3 — CID 54890268

IUPACmethyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2OC)CCCCC1
InChIInChI=1S/C15H21NO3/c1-18-13-9-5-4-8-12(13)16-15(14(17)19-2)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3
InChIKeyMJRGMZAKFHGYGV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.98
Rot. Bonds4

About methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate

methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate (PubChem CID 54890268) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
PubChem CID54890268
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2OC)CCCCC1
InChIInChI=1S/C15H21NO3/c1-18-13-9-5-4-8-12(13)16-15(14(17)19-2)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3
InChIKeyMJRGMZAKFHGYGV-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-methoxyanilino)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

Related Compounds

methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
methyl 4-(2-methoxyanilino)piperidine-4-carboxylate
CID 61245036
1-(2-methoxyanilino)cyclobutane-1-carboxamide
CID 60996883
methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
CID 64513805
3-(2-methoxyanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166159
methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
1-(2-methoxyanilino)-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449310
ethyl 3-(2-methoxyanilino)thiolane-3-carboxylate
CID 54890456
methyl 1-[[(1S,2S)-2-(2-methoxyphenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylate
CID 95278927
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
methyl 1-(2-fluoroanilino)-4-methylcycloheptane-1-carboxylate
CID 65085053
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate (CID 54890268) is methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate is COC(=O)C1(Nc2ccccc2OC)CCCCC1.
What is the InChIKey of methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate?
The InChIKey is MJRGMZAKFHGYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-13-9-5-4-8-12(13)16-15(14(17)19-2)10-6-3-7-11-15/h4-5,8-9,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate?
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate is sourced from PubChem (CID 54890268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).