methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate

C15H21NO3 — CID 13394768

IUPACmethyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C15H21NO3/c1-18-14-9-7-13(8-10-14)16-12-5-3-11(4-6-12)15(17)19-2/h7-12,16H,3-6H2,1-2H3
InChIKeyCINWDASRESWERF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.84
Rot. Bonds4

About methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate

methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate (PubChem CID 13394768) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
PubChem CID13394768
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C15H21NO3/c1-18-14-9-7-13(8-10-14)16-12-5-3-11(4-6-12)15(17)19-2/h7-12,16H,3-6H2,1-2H3
InChIKeyCINWDASRESWERF-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(cyclopropylamino)phenyl]-4-methoxybenzamide
CID 112979959
N-[4-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
N-(4-methoxyphenyl)spiro[4.5]decan-8-amine
CID 114817121
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
4-(4-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201733
N-[4-(cycloheptylamino)phenyl]-4-methoxybenzamide
CID 112984992
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
CID 166692462
methyl 4-[(6-nitro-3-pyridinyl)amino]cyclohexane-1-carboxylate
CID 115633971
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate (CID 13394768) is methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate is COC(=O)C1CCC(Nc2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate?
The InChIKey is CINWDASRESWERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14-9-7-13(8-10-14)16-12-5-3-11(4-6-12)15(17)19-2/h7-12,16H,3-6H2,1-2H3.
What are the key properties of methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate?
methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxyanilino)cyclohexane-1-carboxylate is sourced from PubChem (CID 13394768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).