3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride

C18H29ClN2O — CID 119733701

IUPAC3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCN(CCCCc1ccccc1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-20(18(21)16-11-7-12-17(19)14-16)13-6-5-10-15-8-3-2-4-9-15;/h2-4,8-9,16-17H,5-7,10-14,19H2,1H3;1H
InChIKeyGCCNCLKUDZOTQC-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.41
Rot. Bonds6

About 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119733701) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119733701
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCN(CCCCc1ccccc1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-20(18(21)16-11-7-12-17(19)14-16)13-6-5-10-15-8-3-2-4-9-15;/h2-4,8-9,16-17H,5-7,10-14,19H2,1H3;1H
InChIKeyGCCNCLKUDZOTQC-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
3-amino-N-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 115161711
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119695438
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737084
3-amino-N-(3-amino-3-oxopropyl)-N-benzylcyclohexane-1-carboxamide
CID 119696818
cis-(1R,3S)-3-amino-N-methyl-N-[(E)-3-phenylprop-2-enyl]cyclohexane-1-carboxamide
CID 122566972
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride (CID 119733701) is 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride is CN(CCCCc1ccccc1)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GCCNCLKUDZOTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-20(18(21)16-11-7-12-17(19)14-16)13-6-5-10-15-8-3-2-4-9-15;/h2-4,8-9,16-17H,5-7,10-14,19H2,1H3;1H.
What are the key properties of 3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.41, 6 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-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119733701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).