2,2-dimethyl-N-naphthalen-1-ylbutanamide

C16H19NO — CID 59672446

IUPAC2,2-dimethyl-N-naphthalen-1-ylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H19NO/c1-4-16(2,3)15(18)17-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,4H2,1-3H3,(H,17,18)
InChIKeyLBLHBZNWROQEQC-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.21
Rot. Bonds3

About 2,2-dimethyl-N-naphthalen-1-ylbutanamide

2,2-dimethyl-N-naphthalen-1-ylbutanamide (PubChem CID 59672446) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-naphthalen-1-ylbutanamide
PubChem CID59672446
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2,2-dimethyl-N-naphthalen-1-ylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H19NO/c1-4-16(2,3)15(18)17-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,4H2,1-3H3,(H,17,18)
InChIKeyLBLHBZNWROQEQC-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
2-(2,2-dimethylbutanoylamino)naphthalene-1-sulfonic acid
CID 59749911
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
N-[2-(chloromethyl)phenyl]-2,2-dimethylbutanamide
CID 114298325
8-(2,2-dimethylbutanoylamino)naphthalene-1-sulfonic acid
CID 59749914
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
CID 55103349
3-(2,2-dimethylbutanoylamino)-2-methylbenzoic acid
CID 62947405
(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide
CID 102506983
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2,2-dimethyl-N-naphthalen-1-ylbutanamide (CID 59672446) is 2,2-dimethyl-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2,2-dimethyl-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2,2-dimethyl-N-naphthalen-1-ylbutanamide is CCC(C)(C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2,2-dimethyl-N-naphthalen-1-ylbutanamide?
The InChIKey is LBLHBZNWROQEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-16(2,3)15(18)17-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,4H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-N-naphthalen-1-ylbutanamide?
2,2-dimethyl-N-naphthalen-1-ylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 59672446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).