N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide

C20H27NO — CID 118528647

IUPACN-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide
SMILESCC(C)(C)CN(C(=O)c1ccc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C20H27NO/c1-19(2,3)14-21(20(4,5)6)18(22)17-12-11-15-9-7-8-10-16(15)13-17/h7-13H,14H2,1-6H3
InChIKeyNSMYXFMCGADYPW-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.13
Rot. Bonds2

About N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide

N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide (PubChem CID 118528647) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide
PubChem CID118528647
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide
SMILESCC(C)(C)CN(C(=O)c1ccc2ccccc2c1)C(C)(C)C
InChIInChI=1S/C20H27NO/c1-19(2,3)14-21(20(4,5)6)18(22)17-12-11-15-9-7-8-10-16(15)13-17/h7-13H,14H2,1-6H3
InChIKeyNSMYXFMCGADYPW-UHFFFAOYSA-N
XLogP5.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-N-methylnaphthalene-2-carboxamide
CID 90337297
dinaphthalen-2-ylmethanone
CID 10945915
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
4-[methyl(naphthalene-2-carbonyl)amino]benzoic acid
CID 44726898
naphthalene-2-carboxylic acid
CID 175967775
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
benzoyl chloride;N-tert-butylnaphthalene-2-carbohydrazide;dihydrochloride
CID 173294045
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
2-(diethylamino)-2-methyl-1-naphthalen-2-ylpropan-1-one
CID 79053945
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide?
The IUPAC name of N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide (CID 118528647) is N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide is CC(C)(C)CN(C(=O)c1ccc2ccccc2c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide?
The InChIKey is NSMYXFMCGADYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-19(2,3)14-21(20(4,5)6)18(22)17-12-11-15-9-7-8-10-16(15)13-17/h7-13H,14H2,1-6H3.
What are the key properties of N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide?
N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,2-dimethylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 118528647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).