3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

C16H24Cl2N2O — CID 119717417

IUPAC3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-11(12-6-8-14(17)9-7-12)19(2)16(20)13-4-3-5-15(18)10-13;/h6-9,11,13,15H,3-5,10,18H2,1-2H3;1H
InChIKeyDIEUMOHWXVYORX-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.80
Rot. Bonds3

About 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119717417) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119717417
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-11(12-6-8-14(17)9-7-12)19(2)16(20)13-4-3-5-15(18)10-13;/h6-9,11,13,15H,3-5,10,18H2,1-2H3;1H
InChIKeyDIEUMOHWXVYORX-UHFFFAOYSA-N
XLogP3.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119802425
3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119818177
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467705
3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210718
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 47160080
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
CID 34737269
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119807872
N-[1-(4-chlorophenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388766
trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124515814

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 119717417) is 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is CC(c1ccc(Cl)cc1)N(C)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DIEUMOHWXVYORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-11(12-6-8-14(17)9-7-12)19(2)16(20)13-4-3-5-15(18)10-13;/h6-9,11,13,15H,3-5,10,18H2,1-2H3;1H.
What are the key properties of 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119717417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).