N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide

C25H26N2O3 — CID 42705950

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide
SMILESCOCCN(CC(=O)N1CCc2ccccc2C1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C25H26N2O3/c1-30-16-15-27(25(29)23-12-6-10-20-8-4-5-11-22(20)23)18-24(28)26-14-13-19-7-2-3-9-21(19)17-26/h2-12H,13-18H2,1H3
InChIKeyZCLLFQYGNYXOOZ-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide (PubChem CID 42705950) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide
PubChem CID42705950
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide
SMILESCOCCN(CC(=O)N1CCc2ccccc2C1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C25H26N2O3/c1-30-16-15-27(25(29)23-12-6-10-20-8-4-5-11-22(20)23)18-24(28)26-14-13-19-7-2-3-9-21(19)17-26/h2-12H,13-18H2,1H3
InChIKeyZCLLFQYGNYXOOZ-UHFFFAOYSA-N
XLogP3.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
CID 113149458
N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3473161
2-chloro-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3324074
N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-N-(2-methoxyethyl)benzamide
CID 4695222
methyl 2-[acetyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]benzoate
CID 113176076
2-[butyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 78791109
2-[3-aminopropyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81493173
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160227
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464642
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-phenylethyl)naphthalene-2-carboxamide
CID 42710474
3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
CID 108536410

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide (CID 42705950) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide is COCCN(CC(=O)N1CCc2ccccc2C1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide?
The InChIKey is ZCLLFQYGNYXOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-30-16-15-27(25(29)23-12-6-10-20-8-4-5-11-22(20)23)18-24(28)26-14-13-19-7-2-3-9-21(19)17-26/h2-12H,13-18H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide has a molecular weight of 402.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 42705950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).