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

C26H26N2O2 — CID 167929325

IUPACN-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1Cc2ccccc2CN1C(=O)C1CCC1)c1cccc2ccccc12
InChIInChI=1S/C26H26N2O2/c29-25(24-14-6-10-18-7-3-4-13-23(18)24)27-16-22-15-20-8-1-2-9-21(20)17-28(22)26(30)19-11-5-12-19/h1-4,6-10,13-14,19,22H,5,11-12,15-17H2,(H,27,29)
InChIKeyGTDREDHBHMXQTI-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.32
Rot. Bonds4

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

N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 167929325) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID167929325
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1Cc2ccccc2CN1C(=O)C1CCC1)c1cccc2ccccc12
InChIInChI=1S/C26H26N2O2/c29-25(24-14-6-10-18-7-3-4-13-23(18)24)27-16-22-15-20-8-1-2-9-21(20)17-28(22)26(30)19-11-5-12-19/h1-4,6-10,13-14,19,22H,5,11-12,15-17H2,(H,27,29)
InChIKeyGTDREDHBHMXQTI-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[[2-(bromomethyl)cyclopentyl]methyl]naphthalene-1-carboxamide
CID 114317019
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N-[(2-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 64928625
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
[(3S)-3-[(4-methylphenyl)sulfanylmethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 118219448
N-[[(2S,5R)-5-[2-(cyclobutylamino)-2-oxoethyl]-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
CID 171386076
[3-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 70685793
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170
[3-[(5-methoxypyrimidin-2-yl)oxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 123968170
naphthalen-1-yl-[3-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 144882573

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide (CID 167929325) is N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide is O=C(NCC1Cc2ccccc2CN1C(=O)C1CCC1)c1cccc2ccccc12.
What is the InChIKey of N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is GTDREDHBHMXQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(24-14-6-10-18-7-3-4-13-23(18)24)27-16-22-15-20-8-1-2-9-21(20)17-28(22)26(30)19-11-5-12-19/h1-4,6-10,13-14,19,22H,5,11-12,15-17H2,(H,27,29).
What are the key properties of N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide?
N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 167929325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).