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

C16H20N2O — CID 115154377

IUPAC3-amino-N-(2-naphthalen-1-ylethyl)butanamide
SMILESCC(N)CC(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C16H20N2O/c1-12(17)11-16(19)18-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11,17H2,1H3,(H,18,19)
InChIKeyGPNBTIOUUSKESY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.24
Rot. Bonds5

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

3-amino-N-(2-naphthalen-1-ylethyl)butanamide (PubChem CID 115154377) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-amino-N-(2-naphthalen-1-ylethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(2-naphthalen-1-ylethyl)butanamide
PubChem CID115154377
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-amino-N-(2-naphthalen-1-ylethyl)butanamide
SMILESCC(N)CC(=O)NCCc1cccc2ccccc12
InChIInChI=1S/C16H20N2O/c1-12(17)11-16(19)18-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11,17H2,1H3,(H,18,19)
InChIKeyGPNBTIOUUSKESY-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115180118
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-[2-(3-aminobutylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 119497414
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
2-(1,3-dioxoisoindol-2-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 2920554
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-naphthalen-1-ylethyl)butanamide?
The IUPAC name of 3-amino-N-(2-naphthalen-1-ylethyl)butanamide (CID 115154377) is 3-amino-N-(2-naphthalen-1-ylethyl)butanamide.
What is the SMILES notation for 3-amino-N-(2-naphthalen-1-ylethyl)butanamide?
The canonical SMILES for 3-amino-N-(2-naphthalen-1-ylethyl)butanamide is CC(N)CC(=O)NCCc1cccc2ccccc12.
What is the InChIKey of 3-amino-N-(2-naphthalen-1-ylethyl)butanamide?
The InChIKey is GPNBTIOUUSKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(17)11-16(19)18-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2-naphthalen-1-ylethyl)butanamide?
3-amino-N-(2-naphthalen-1-ylethyl)butanamide has a molecular weight of 256.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-naphthalen-1-ylethyl)butanamide is sourced from PubChem (CID 115154377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).