N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C20H30N2O2 — CID 72901488

IUPACN-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN1Cc2ccccc2CC1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-22-15-17-9-6-5-8-16(17)14-19(22)20(23)21-12-7-13-24-18-10-3-2-4-11-18/h5-6,8-9,18-19H,2-4,7,10-15H2,1H3,(H,21,23)
InChIKeyHMGJQDHKURMBGL-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.90
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 72901488) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID72901488
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCN1Cc2ccccc2CC1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-22-15-17-9-6-5-8-16(17)14-19(22)20(23)21-12-7-13-24-18-10-3-2-4-11-18/h5-6,8-9,18-19H,2-4,7,10-15H2,1H3,(H,21,23)
InChIKeyHMGJQDHKURMBGL-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.90
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

(3S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97275898
(3S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97191213
formic acid;1-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]azepane-2-carboxamide
CID 154912664
1-(3-cyclohexyloxypropyl)-2-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-3-ethylguanidine
CID 111559054
N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55408232
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 118789537
N-(7-aminoheptyl)-2-(4-cyclohexylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10225344
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
(2S)-N-(3-cyclohexyloxypropyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43012791
1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 42920333
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700
methoxymethane;methyl 2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 91129001

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 72901488) is N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is CN1Cc2ccccc2CC1C(=O)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is HMGJQDHKURMBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-22-15-17-9-6-5-8-16(17)14-19(22)20(23)21-12-7-13-24-18-10-3-2-4-11-18/h5-6,8-9,18-19H,2-4,7,10-15H2,1H3,(H,21,23).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 72901488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).