3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide

C17H22N2O — CID 65264771

IUPAC3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-16(2,17(3,4)18)15(20)19-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,18H2,1-4H3,(H,19,20)
InChIKeyFPOFGBKRFHZDRT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.54
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide

3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide (PubChem CID 65264771) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
PubChem CID65264771
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-16(2,17(3,4)18)15(20)19-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,18H2,1-4H3,(H,19,20)
InChIKeyFPOFGBKRFHZDRT-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
naphthalen-1-ylurea;hydrochloride
CID 141142203
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
CID 65266651
(2R)-2-benzyl-N-hydroxy-2-methyl-N'-naphthalen-1-ylpropanediamide
CID 102506983
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-anthracen-1-yl-2,2-dimethylpropanamide
CID 54051117
2-(3-benzoylphenyl)-2-chloro-N-naphthalen-1-ylpropanamide
CID 163297603

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide (CID 65264771) is 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide is CC(C)(N)C(C)(C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide?
The InChIKey is FPOFGBKRFHZDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-16(2,17(3,4)18)15(20)19-14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,18H2,1-4H3,(H,19,20).
What are the key properties of 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide?
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide has a molecular weight of 270.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide is sourced from PubChem (CID 65264771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).