N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H22N2O — CID 108988971

IUPACN-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N2O/c1-2-20(14-16-8-4-3-5-9-16)19(22)21-13-12-17-10-6-7-11-18(17)15-21/h3-11H,2,12-15H2,1H3
InChIKeyLIDPTEVXJFLEKO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.69
Rot. Bonds3

About N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 108988971) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID108988971
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N2O/c1-2-20(14-16-8-4-3-5-9-16)19(22)21-13-12-17-10-6-7-11-18(17)15-21/h3-11H,2,12-15H2,1H3
InChIKeyLIDPTEVXJFLEKO-UHFFFAOYSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 113237086
2-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108998886
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
3-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109023028
3-[ethyl(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)amino]propanoic acid
CID 63153793
N-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-3-oxopropanamide
CID 108946045
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-2,2-dimethyl-3-oxopropanamide
CID 108963943
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrimidine-5-carboxamide
CID 109258326
N-butyl-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989143
[6-[benzyl(ethyl)amino]pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109120502
N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide
CID 109282732
N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-3-oxopropanamide
CID 108947316

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 108988971) is N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCN(Cc1ccccc1)C(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is LIDPTEVXJFLEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-20(14-16-8-4-3-5-9-16)19(22)21-13-12-17-10-6-7-11-18(17)15-21/h3-11H,2,12-15H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 108988971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).