N-benzyl-N-tert-butylnaphthalene-1-carboxamide

C22H23NO — CID 10914114

IUPACN-benzyl-N-tert-butylnaphthalene-1-carboxamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H23NO/c1-22(2,3)23(16-17-10-5-4-6-11-17)21(24)20-15-9-13-18-12-7-8-14-19(18)20/h4-15H,16H2,1-3H3
InChIKeyFFQRKENIRRWEOH-UHFFFAOYSA-N
MW317.43 g/mol
LogP5.28
Rot. Bonds3

About N-benzyl-N-tert-butylnaphthalene-1-carboxamide

N-benzyl-N-tert-butylnaphthalene-1-carboxamide (PubChem CID 10914114) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is N-benzyl-N-tert-butylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butylnaphthalene-1-carboxamide
PubChem CID10914114
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC NameN-benzyl-N-tert-butylnaphthalene-1-carboxamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H23NO/c1-22(2,3)23(16-17-10-5-4-6-11-17)21(24)20-15-9-13-18-12-7-8-14-19(18)20/h4-15H,16H2,1-3H3
InChIKeyFFQRKENIRRWEOH-UHFFFAOYSA-N
XLogP5.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl-[[4-[(naphthalene-1-carbonylamino)methyl]phenyl]methyl]carbamic acid
CID 68877183
N-benzyl-2-bromo-N-tert-butylbenzamide
CID 4539378
N-benzyl-N-tert-butyl-2-naphthalen-1-ylacetamide
CID 2203262
N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide
CID 42778105
N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide
CID 2954043
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide
CID 42703297
ethyl 2-[benzyl(naphthalene-1-carbonyl)amino]benzoate
CID 11690046
N-benzyl-N-tert-butyl-3,4-dichlorobenzamide
CID 888438
N-fluoro-N-phenylnaphthalene-1-carboxamide
CID 90862687
N-[2-[benzyl(methyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 30337138
N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butylnaphthalene-1-carboxamide?
The IUPAC name of N-benzyl-N-tert-butylnaphthalene-1-carboxamide (CID 10914114) is N-benzyl-N-tert-butylnaphthalene-1-carboxamide.
What is the SMILES notation for N-benzyl-N-tert-butylnaphthalene-1-carboxamide?
The canonical SMILES for N-benzyl-N-tert-butylnaphthalene-1-carboxamide is CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-benzyl-N-tert-butylnaphthalene-1-carboxamide?
The InChIKey is FFQRKENIRRWEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-22(2,3)23(16-17-10-5-4-6-11-17)21(24)20-15-9-13-18-12-7-8-14-19(18)20/h4-15H,16H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butylnaphthalene-1-carboxamide?
N-benzyl-N-tert-butylnaphthalene-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butylnaphthalene-1-carboxamide is sourced from PubChem (CID 10914114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).