N-[2-(naphthalen-1-ylamino)ethyl]acetamide

C14H16N2O — CID 2900806

IUPACN-[2-(naphthalen-1-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNc1cccc2ccccc12
InChIInChI=1S/C14H16N2O/c1-11(17)15-9-10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,16H,9-10H2,1H3,(H,15,17)
InChIKeyHZYHRPXUOHTHQR-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.39
Rot. Bonds4

About N-[2-(naphthalen-1-ylamino)ethyl]acetamide

N-[2-(naphthalen-1-ylamino)ethyl]acetamide (PubChem CID 2900806) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[2-(naphthalen-1-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(naphthalen-1-ylamino)ethyl]acetamide
PubChem CID2900806
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[2-(naphthalen-1-ylamino)ethyl]acetamide
SMILESCC(=O)NCCNc1cccc2ccccc12
InChIInChI=1S/C14H16N2O/c1-11(17)15-9-10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,16H,9-10H2,1H3,(H,15,17)
InChIKeyHZYHRPXUOHTHQR-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalen-1-ylamino)ethyl]acetamide?
The IUPAC name of N-[2-(naphthalen-1-ylamino)ethyl]acetamide (CID 2900806) is N-[2-(naphthalen-1-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(naphthalen-1-ylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(naphthalen-1-ylamino)ethyl]acetamide is CC(=O)NCCNc1cccc2ccccc12.
What is the InChIKey of N-[2-(naphthalen-1-ylamino)ethyl]acetamide?
The InChIKey is HZYHRPXUOHTHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(17)15-9-10-16-14-8-4-6-12-5-2-3-7-13(12)14/h2-8,16H,9-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(naphthalen-1-ylamino)ethyl]acetamide?
N-[2-(naphthalen-1-ylamino)ethyl]acetamide has a molecular weight of 228.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalen-1-ylamino)ethyl]acetamide is sourced from PubChem (CID 2900806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).