N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide

C19H22N2O — CID 110747314

IUPACN-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide
SMILESCC1(C)Cc2ccccc2CN1C(=O)NCc1ccccc1
InChIInChI=1S/C19H22N2O/c1-19(2)12-16-10-6-7-11-17(16)14-21(19)18(22)20-13-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyXOMTWNBTGGSNGQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.73
Rot. Bonds2

About N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide

N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide (PubChem CID 110747314) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide
PubChem CID110747314
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide
SMILESCC1(C)Cc2ccccc2CN1C(=O)NCc1ccccc1
InChIInChI=1S/C19H22N2O/c1-19(2)12-16-10-6-7-11-17(16)14-21(19)18(22)20-13-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyXOMTWNBTGGSNGQ-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 110749603
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CID 110749470
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
CID 130941448
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
3-methoxycarbonyl-3-methyl-1,4-dihydroisoquinoline-2-carboxylic acid
CID 123681021
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-benzyl-2,2-dimethyl-5-oxopyrrole-1-carboxamide
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(3S)-N,1-dibenzyl-3-methyl-2-oxo-4H-quinoline-3-carboxamide
CID 101469872
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide?
The IUPAC name of N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide (CID 110747314) is N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide?
The canonical SMILES for N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide is CC1(C)Cc2ccccc2CN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide?
The InChIKey is XOMTWNBTGGSNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-19(2)12-16-10-6-7-11-17(16)14-21(19)18(22)20-13-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide?
N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-dimethyl-1,4-dihydroisoquinoline-2-carboxamide is sourced from PubChem (CID 110747314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).