N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide

C15H15NO2 — CID 139605410

IUPACN-ethyl-N-(4-formylnaphthalen-1-yl)acetamide
SMILESCCN(C(C)=O)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C15H15NO2/c1-3-16(11(2)18)15-9-8-12(10-17)13-6-4-5-7-14(13)15/h4-10H,3H2,1-2H3
InChIKeyJZXHZHKMQGFDFC-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.03
Rot. Bonds3

About N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide

N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide (PubChem CID 139605410) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-formylnaphthalen-1-yl)acetamide
PubChem CID139605410
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-N-(4-formylnaphthalen-1-yl)acetamide
SMILESCCN(C(C)=O)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C15H15NO2/c1-3-16(11(2)18)15-9-8-12(10-17)13-6-4-5-7-14(13)15/h4-10H,3H2,1-2H3
InChIKeyJZXHZHKMQGFDFC-UHFFFAOYSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide?
The IUPAC name of N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide (CID 139605410) is N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide?
The canonical SMILES for N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide is CCN(C(C)=O)c1ccc(C=O)c2ccccc12.
What is the InChIKey of N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide?
The InChIKey is JZXHZHKMQGFDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-3-16(11(2)18)15-9-8-12(10-17)13-6-4-5-7-14(13)15/h4-10H,3H2,1-2H3.
What are the key properties of N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide?
N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide has a molecular weight of 241.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-formylnaphthalen-1-yl)acetamide is sourced from PubChem (CID 139605410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).