methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate

C16H23NO3 — CID 129108901

IUPACmethyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate
SMILESCOC(=O)c1cc(OC)cc(NC2CCCCC2)c1C
InChIInChI=1S/C16H23NO3/c1-11-14(16(18)20-3)9-13(19-2)10-15(11)17-12-7-5-4-6-8-12/h9-10,12,17H,4-8H2,1-3H3
InChIKeySUTWHUPATYDCBF-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.53
Rot. Bonds4

About methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate

methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate (PubChem CID 129108901) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate
PubChem CID129108901
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate
SMILESCOC(=O)c1cc(OC)cc(NC2CCCCC2)c1C
InChIInChI=1S/C16H23NO3/c1-11-14(16(18)20-3)9-13(19-2)10-15(11)17-12-7-5-4-6-8-12/h9-10,12,17H,4-8H2,1-3H3
InChIKeySUTWHUPATYDCBF-UHFFFAOYSA-N
XLogP3.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-3-(cyclopentylamino)-2-methylbenzoate
CID 70872494
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
methyl 2-amino-4-bromo-5-(cyclohexylamino)benzoate
CID 114278245
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
1-(cyclohexylamino)-2-methoxycarbonyl-4-(sulfinoamino)benzene
CID 54246963
2-(cyclohexylamino)-N-(4-methoxyphenyl)-5-methylbenzamide
CID 71049986
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
methyl 3,5-dibromo-2-(cyclooctylamino)benzoate
CID 63451936

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate?
The IUPAC name of methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate (CID 129108901) is methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate.
What is the SMILES notation for methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate?
The canonical SMILES for methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate is COC(=O)c1cc(OC)cc(NC2CCCCC2)c1C.
What is the InChIKey of methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate?
The InChIKey is SUTWHUPATYDCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-14(16(18)20-3)9-13(19-2)10-15(11)17-12-7-5-4-6-8-12/h9-10,12,17H,4-8H2,1-3H3.
What are the key properties of methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate?
methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate has a molecular weight of 277.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylamino)-5-methoxy-2-methylbenzoate is sourced from PubChem (CID 129108901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).