1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H30N2O — CID 175901516

IUPAC1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCCCCCC(CC)C1c2ccccc2CCN1C(N)=O
InChIInChI=1S/C19H30N2O/c1-3-5-6-7-10-15(4-2)18-17-12-9-8-11-16(17)13-14-21(18)19(20)22/h8-9,11-12,15,18H,3-7,10,13-14H2,1-2H3,(H2,20,22)
InChIKeyLIBONWRJDGSGDC-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.66
Rot. Bonds7

About 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 175901516) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID175901516
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCCCCCC(CC)C1c2ccccc2CCN1C(N)=O
InChIInChI=1S/C19H30N2O/c1-3-5-6-7-10-15(4-2)18-17-12-9-8-11-16(17)13-14-21(18)19(20)22/h8-9,11-12,15,18H,3-7,10,13-14H2,1-2H3,(H2,20,22)
InChIKeyLIBONWRJDGSGDC-UHFFFAOYSA-N
XLogP4.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)octan-1-one
CID 70518138
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
ethyl 1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10106025
1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 82506899
ethyl 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-3-oxobutanoate
CID 10859641
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
CID 65403955
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796
(2R)-1-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylhexan-1-one
CID 92760227
(2S)-1-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylhexan-1-one
CID 92760228
2-heptyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 46855998
2-[2-[1-[(1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]octanoic acid
CID 123273688
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547

Frequently Asked Questions

What is the IUPAC name of 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 175901516) is 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCCCCCC(CC)C1c2ccccc2CCN1C(N)=O.
What is the InChIKey of 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is LIBONWRJDGSGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-5-6-7-10-15(4-2)18-17-12-9-8-11-16(17)13-14-21(18)19(20)22/h8-9,11-12,15,18H,3-7,10,13-14H2,1-2H3,(H2,20,22).
What are the key properties of 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 175901516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).