N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide

C18H20N2O — CID 51092598

IUPACN-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
SMILESCCN(CC(C)C#N)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H20N2O/c1-3-20(13-14(2)12-19)18(21)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,3,11,13H2,1-2H3
InChIKeySKEAHYZBEIUHAX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.39
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide

N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide (PubChem CID 51092598) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
PubChem CID51092598
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
SMILESCCN(CC(C)C#N)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H20N2O/c1-3-20(13-14(2)12-19)18(21)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,3,11,13H2,1-2H3
InChIKeySKEAHYZBEIUHAX-UHFFFAOYSA-N
XLogP3.39
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
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N-(2-aminoethyl)-N-ethyl-2-naphthalen-1-ylacetamide
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CID 87013152
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CID 78899492
N-(2-cyanopropyl)-N-ethyl-2,3-dihydroxybenzamide
CID 114343549
N,N-bis(2-hydroxyethyl)-2-naphthalen-1-ylacetamide
CID 60653051
2-(2-acetylanilino)-N-[(2R)-2-cyanopropyl]-N-ethylacetamide
CID 97054710
N-(2-cyanopropyl)-N-ethyl-2-(5-phenyltetrazol-2-yl)acetamide
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3-methyl-1-naphthalen-1-ylbutan-2-one
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide (CID 51092598) is N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide is CCN(CC(C)C#N)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide?
The InChIKey is SKEAHYZBEIUHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-20(13-14(2)12-19)18(21)11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10,14H,3,11,13H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide?
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide has a molecular weight of 280.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 51092598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).