N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide

C17H18N2O — CID 47402323

IUPACN-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide
SMILESCC(C#N)CN(C)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O/c1-13(11-18)12-19(2)17(20)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13H,10,12H2,1-2H3
InChIKeyHCWIXPDUIOTVBV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.00
Rot. Bonds4

About N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide

N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide (PubChem CID 47402323) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide
PubChem CID47402323
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide
SMILESCC(C#N)CN(C)C(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O/c1-13(11-18)12-19(2)17(20)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13H,10,12H2,1-2H3
InChIKeyHCWIXPDUIOTVBV-UHFFFAOYSA-N
XLogP3.00
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide (CID 47402323) is N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide is CC(C#N)CN(C)C(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide?
The InChIKey is HCWIXPDUIOTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(11-18)12-19(2)17(20)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13H,10,12H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide?
N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide has a molecular weight of 266.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 47402323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).