2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide

C13H18N2O — CID 65236290

IUPAC2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
SMILESCNC1(CC(N)=O)CCc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-15-13(9-12(14)16)7-6-10-4-2-3-5-11(10)8-13/h2-5,15H,6-9H2,1H3,(H2,14,16)
InChIKeyVBGLZZPWKACUQJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.01
Rot. Bonds3

About 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide

2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide (PubChem CID 65236290) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
PubChem CID65236290
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide
SMILESCNC1(CC(N)=O)CCc2ccccc2C1
InChIInChI=1S/C13H18N2O/c1-15-13(9-12(14)16)7-6-10-4-2-3-5-11(10)8-13/h2-5,15H,6-9H2,1H3,(H2,14,16)
InChIKeyVBGLZZPWKACUQJ-UHFFFAOYSA-N
XLogP1.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide?
The IUPAC name of 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide (CID 65236290) is 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide.
What is the SMILES notation for 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide?
The canonical SMILES for 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide is CNC1(CC(N)=O)CCc2ccccc2C1.
What is the InChIKey of 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide?
The InChIKey is VBGLZZPWKACUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-13(9-12(14)16)7-6-10-4-2-3-5-11(10)8-13/h2-5,15H,6-9H2,1H3,(H2,14,16).
What are the key properties of 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide?
2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide has a molecular weight of 218.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetamide is sourced from PubChem (CID 65236290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).