N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H23NO2 — CID 64991886

IUPACN-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C17H23NO2/c1-17(2,3)15(19)11-18-16(20)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,18,20)
InChIKeyJBIUMLNSADNGPO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.84
Rot. Bonds3

About N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 64991886) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID64991886
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)(C)C(=O)CNC(=O)C1CCCc2ccccc21
InChIInChI=1S/C17H23NO2/c1-17(2,3)15(19)11-18-16(20)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,18,20)
InChIKeyJBIUMLNSADNGPO-UHFFFAOYSA-N
XLogP2.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[2-(tert-butylamino)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39983733
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
N-(2-amino-2-ethylbutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 81484388
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
N-(2-hydroxybutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113492689
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
2-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoic acid
CID 79792733
N-(3-bromo-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114313424
(1S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94188090
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48502605
N-(2-chloro-3-methoxypropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 113272066

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 64991886) is N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)(C)C(=O)CNC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is JBIUMLNSADNGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)15(19)11-18-16(20)14-10-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,14H,6,8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 64991886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).