N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride

C19H31ClN2O2 — CID 119476012

IUPACN-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
SMILESCOc1ccc(CCCCCC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-23-18-13-7-15(8-14-18)5-3-2-4-6-19(22)21-17-11-9-16(20)10-12-17;/h7-8,13-14,16-17H,2-6,9-12,20H2,1H3,(H,21,22);1H
InChIKeyCZZFYKOJVRXWOX-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.61
Rot. Bonds8

About N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride

N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride (PubChem CID 119476012) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
PubChem CID119476012
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC NameN-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
SMILESCOc1ccc(CCCCCC(=O)NC2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-23-18-13-7-15(8-14-18)5-3-2-4-6-19(22)21-17-11-9-16(20)10-12-17;/h7-8,13-14,16-17H,2-6,9-12,20H2,1H3,(H,21,22);1H
InChIKeyCZZFYKOJVRXWOX-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
CID 119387370
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305405
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
5-(4-methoxyphenyl)-N-(3-methylsulfanylcyclohexyl)pentanamide
CID 86966004
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride (CID 119476012) is N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride is COc1ccc(CCCCCC(=O)NC2CCC(N)CC2)cc1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
The InChIKey is CZZFYKOJVRXWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-23-18-13-7-15(8-14-18)5-3-2-4-6-19(22)21-17-11-9-16(20)10-12-17;/h7-8,13-14,16-17H,2-6,9-12,20H2,1H3,(H,21,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride?
N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride is sourced from PubChem (CID 119476012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).