6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid

C19H22N2O3 — CID 166289614

IUPAC6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid
SMILESCN(C)C1CC(CNC(=O)c2ccc3cc(C(=O)O)ccc3c2)C1
InChIInChI=1S/C19H22N2O3/c1-21(2)17-7-12(8-17)11-20-18(22)15-5-3-14-10-16(19(23)24)6-4-13(14)9-15/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyUSHCNYSJLWGXLI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.61
Rot. Bonds5

About 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid

6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid (PubChem CID 166289614) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid
PubChem CID166289614
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid
SMILESCN(C)C1CC(CNC(=O)c2ccc3cc(C(=O)O)ccc3c2)C1
InChIInChI=1S/C19H22N2O3/c1-21(2)17-7-12(8-17)11-20-18(22)15-5-3-14-10-16(19(23)24)6-4-13(14)9-15/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyUSHCNYSJLWGXLI-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(dimethylamino)cyclobutyl]methyl]-3,4-difluorobenzamide
CID 136583342
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
2-(dimethylamino)-N-[(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 66006489
N-[(3-aminocyclobutyl)methyl]-4-methoxybenzamide
CID 66006456
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
6-bromo-N-(thian-4-ylmethyl)naphthalene-2-carboxamide
CID 115749078
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid (CID 166289614) is 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid is CN(C)C1CC(CNC(=O)c2ccc3cc(C(=O)O)ccc3c2)C1.
What is the InChIKey of 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid?
The InChIKey is USHCNYSJLWGXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(2)17-7-12(8-17)11-20-18(22)15-5-3-14-10-16(19(23)24)6-4-13(14)9-15/h3-6,9-10,12,17H,7-8,11H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid?
6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)cyclobutyl]methylcarbamoyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 166289614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).