3-naphthalen-1-ylpropanamide

C13H13NO — CID 53278684

IUPAC3-naphthalen-1-ylpropanamide
SMILESNC(=O)CCc1cccc2ccccc12
InChIInChI=1S/C13H13NO/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,14,15)
InChIKeyKYHMEWQGAKQCIM-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.26
Rot. Bonds3

About 3-naphthalen-1-ylpropanamide

3-naphthalen-1-ylpropanamide (PubChem CID 53278684) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-naphthalen-1-ylpropanamide
PubChem CID53278684
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-naphthalen-1-ylpropanamide
SMILESNC(=O)CCc1cccc2ccccc12
InChIInChI=1S/C13H13NO/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,14,15)
InChIKeyKYHMEWQGAKQCIM-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpropanamide?
The IUPAC name of 3-naphthalen-1-ylpropanamide (CID 53278684) is 3-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-naphthalen-1-ylpropanamide is NC(=O)CCc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylpropanamide?
The InChIKey is KYHMEWQGAKQCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,14,15).
What are the key properties of 3-naphthalen-1-ylpropanamide?
3-naphthalen-1-ylpropanamide has a molecular weight of 199.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 53278684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).