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

C17H27ClN2O2 — CID 119731934

IUPAC3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCN(CCCOc1ccccc1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-19(17(20)14-7-5-8-15(18)13-14)11-6-12-21-16-9-3-2-4-10-16;/h2-4,9-10,14-15H,5-8,11-13,18H2,1H3;1H
InChIKeyYTFMTPLICMOXBP-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.85
Rot. Bonds6

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

3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119731934) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119731934
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCN(CCCOc1ccccc1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-19(17(20)14-7-5-8-15(18)13-14)11-6-12-21-16-9-3-2-4-10-16;/h2-4,9-10,14-15H,5-8,11-13,18H2,1H3;1H
InChIKeyYTFMTPLICMOXBP-UHFFFAOYSA-N
XLogP2.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
CID 91777791
3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
CID 119820809
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119753738
3-amino-N-methyl-N-(4-phenylbutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119733701
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119695438
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 106739374
3-amino-N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119753734
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride (CID 119731934) is 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride is CN(CCCOc1ccccc1)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YTFMTPLICMOXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-19(17(20)14-7-5-8-15(18)13-14)11-6-12-21-16-9-3-2-4-10-16;/h2-4,9-10,14-15H,5-8,11-13,18H2,1H3;1H.
What are the key properties of 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119731934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).