3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

C16H25ClN2O — CID 119798267

IUPAC3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCc1ccccc1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-2-12-6-3-4-7-14(12)11-18-16(19)13-8-5-9-15(17)10-13;/h3-4,6-7,13,15H,2,5,8-11,17H2,1H3,(H,18,19);1H
InChIKeyINZGBGAPTTYWIW-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.80
Rot. Bonds4

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

3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119798267) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119798267
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCc1ccccc1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-2-12-6-3-4-7-14(12)11-18-16(19)13-8-5-9-15(17)10-13;/h3-4,6-7,13,15H,2,5,8-11,17H2,1H3,(H,18,19);1H
InChIKeyINZGBGAPTTYWIW-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836069
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119836070
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
3-amino-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119861630
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
3-amino-N-[[2-(2-methylpropoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119739863
trans-(1R,3R)-3-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 124689832
3-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119838744
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
3-amino-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119888604

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119798267) is 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is CCc1ccccc1CNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is INZGBGAPTTYWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-2-12-6-3-4-7-14(12)11-18-16(19)13-8-5-9-15(17)10-13;/h3-4,6-7,13,15H,2,5,8-11,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119798267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).