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

C18H29ClN2O — CID 119681964

IUPAC3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(CN(C)C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)15-9-7-14(8-10-15)12-20(3)18(21)16-5-4-6-17(19)11-16;/h7-10,13,16-17H,4-6,11-12,19H2,1-3H3;1H
InChIKeyPWMSSHJRUBNHAG-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.71
Rot. Bonds4

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

3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119681964) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119681964
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(CN(C)C(=O)C2CCCC(N)C2)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-13(2)15-9-7-14(8-10-15)12-20(3)18(21)16-5-4-6-17(19)11-16;/h7-10,13,16-17H,4-6,11-12,19H2,1-3H3;1H
InChIKeyPWMSSHJRUBNHAG-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045904
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 114997651
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
3-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119704996
3-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119689736
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
3-amino-N-methyl-N-[(4-methylsulfinylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807766
3-amino-N-methyl-N-[(3-methylsulfanylphenyl)methyl]cyclohexane-1-carboxamide
CID 156608399
3-[(4-hydroxyphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 154832958

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119681964) is 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is CC(C)c1ccc(CN(C)C(=O)C2CCCC(N)C2)cc1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PWMSSHJRUBNHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-13(2)15-9-7-14(8-10-15)12-20(3)18(21)16-5-4-6-17(19)11-16;/h7-10,13,16-17H,4-6,11-12,19H2,1-3H3;1H.
What are the key properties of 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119681964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).