3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119808680

IUPAC3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-6-7-13(15(8-11)20-2)10-18-16(19)12-4-3-5-14(17)9-12;/h6-8,12,14H,3-5,9-10,17H2,1-2H3,(H,18,19);1H
InChIKeyHHVCQWKWQFYTPK-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119808680) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119808680
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cc(C)ccc1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-6-7-13(15(8-11)20-2)10-18-16(19)12-4-3-5-14(17)9-12;/h6-8,12,14H,3-5,9-10,17H2,1-2H3,(H,18,19);1H
InChIKeyHHVCQWKWQFYTPK-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811167
3-amino-N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]cyclohexane-1-carboxamide
CID 119812541
3-amino-N-[(2-butan-2-yloxy-4-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811561
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
cis-(1R,3S)-3-amino-N-[[4-methyl-2-[(3R)-oxolan-3-yl]oxyphenyl]methyl]cyclopentane-1-carboxamide
CID 124697586
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119763451
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045582
2-(cyclopropylmethylamino)-N-[(2-methoxy-4-methylphenyl)methyl]acetamide
CID 119808693

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119808680) is 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is COc1cc(C)ccc1CNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HHVCQWKWQFYTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-6-7-13(15(8-11)20-2)10-18-16(19)12-4-3-5-14(17)9-12;/h6-8,12,14H,3-5,9-10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methoxy-4-methylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119808680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).