3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide

C17H22N2O — CID 119758698

IUPAC3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
SMILESCC(N)CC(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-13(18)12-17(20)19(2)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12,18H2,1-2H3
InChIKeyRQGDUDXRBAVFCB-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.58
Rot. Bonds5

About 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide

3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide (PubChem CID 119758698) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
PubChem CID119758698
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
SMILESCC(N)CC(=O)N(C)CCc1cccc2ccccc12
InChIInChI=1S/C17H22N2O/c1-13(18)12-17(20)19(2)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12,18H2,1-2H3
InChIKeyRQGDUDXRBAVFCB-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616
2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)pentanamide
CID 119309088
(2R)-N-methyl-N-(2-naphthalen-1-ylethyl)-2-propan-2-ylsulfonylpropanamide
CID 94821471
(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377
1-amino-N-methyl-N-(2-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115190049
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
3-(2,2-difluoroethyl)-1-methyl-1-(2-naphthalen-1-ylethyl)urea
CID 71925562
2-amino-4-[2-(2-bromophenyl)ethyl-methylamino]-4-oxobutanoic acid
CID 115181197

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide?
The IUPAC name of 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide (CID 119758698) is 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide is CC(N)CC(=O)N(C)CCc1cccc2ccccc12.
What is the InChIKey of 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide?
The InChIKey is RQGDUDXRBAVFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13(18)12-17(20)19(2)11-10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13H,10-12,18H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide?
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide has a molecular weight of 270.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide is sourced from PubChem (CID 119758698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).