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

C15H21NO3 — CID 54890159

IUPACmethyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C15H21NO3/c1-18-13-8-6-12(7-9-13)16-15(14(17)19-2)10-4-3-5-11-15/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyKVEOAGZJFITOMQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.98
Rot. Bonds4

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

methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate (PubChem CID 54890159) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
PubChem CID54890159
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C15H21NO3/c1-18-13-8-6-12(7-9-13)16-15(14(17)19-2)10-4-3-5-11-15/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyKVEOAGZJFITOMQ-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

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 7018136
1-(4-methoxyanilino)cyclohexane-1-carboxamide
CID 2310511
1-(4-methoxyanilino)cycloheptane-1-carboxamide
CID 54889423
methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
methyl 1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 22907072
methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate
CID 90299079
1-formamido-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 15065034
methyl 1-(2-methoxyanilino)cyclohexane-1-carboxylate
CID 54890268
ethyl 3-(4-methoxyanilino)-1,1-dioxothiolane-3-carboxylate
CID 63166073
4-(4-methoxyanilino)oxane-4-carboxamide
CID 54889147
methyl 1-(3-fluoroanilino)cyclopentane-1-carboxylate
CID 54890364
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate (CID 54890159) is methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate is COC(=O)C1(Nc2ccc(OC)cc2)CCCCC1.
What is the InChIKey of methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate?
The InChIKey is KVEOAGZJFITOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-13-8-6-12(7-9-13)16-15(14(17)19-2)10-4-3-5-11-15/h6-9,16H,3-5,10-11H2,1-2H3.
What are the key properties of methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate?
methyl 1-(4-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-(4-methoxyanilino)cyclohexane-1-carboxylate is sourced from PubChem (CID 54890159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).