3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide

C17H26N2O2 — CID 63045582

IUPAC3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C17H26N2O2/c1-12-7-8-16(21-3)14(9-12)11-19(2)17(20)13-5-4-6-15(18)10-13/h7-9,13,15H,4-6,10-11,18H2,1-3H3
InChIKeyMSLWVXRIGPPTJN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds4

About 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide

3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 63045582) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID63045582
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C17H26N2O2/c1-12-7-8-16(21-3)14(9-12)11-19(2)17(20)13-5-4-6-15(18)10-13/h7-9,13,15H,4-6,10-11,18H2,1-3H3
InChIKeyMSLWVXRIGPPTJN-UHFFFAOYSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
3-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119704996
3-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719111
3-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119738433
cis-(1R,3S)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686979
trans-(1R,3R)-3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124686974
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 124685973
trans-(1S,3S)-3-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 124685000
3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808680
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 63043755
cis-(1R,3S)-3-amino-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 124685790

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 63045582) is 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide is COc1ccc(C)cc1CN(C)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is MSLWVXRIGPPTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-8-16(21-3)14(9-12)11-19(2)17(20)13-5-4-6-15(18)10-13/h7-9,13,15H,4-6,10-11,18H2,1-3H3.
What are the key properties of 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 63045582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).