N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide

C14H15NO2 — CID 3071657

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide
SMILESCOc1ccc2cccc(CCNC=O)c2c1
InChIInChI=1S/C14H15NO2/c1-17-13-6-5-11-3-2-4-12(14(11)9-13)7-8-15-10-16/h2-6,9-10H,7-8H2,1H3,(H,15,16)
InChIKeyWLNVBLHBIPTPNU-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide

N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide (PubChem CID 3071657) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide
PubChem CID3071657
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide
SMILESCOc1ccc2cccc(CCNC=O)c2c1
InChIInChI=1S/C14H15NO2/c1-17-13-6-5-11-3-2-4-12(14(11)9-13)7-8-15-10-16/h2-6,9-10H,7-8H2,1H3,(H,15,16)
InChIKeyWLNVBLHBIPTPNU-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide (CID 3071657) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide is COc1ccc2cccc(CCNC=O)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide?
The InChIKey is WLNVBLHBIPTPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-13-6-5-11-3-2-4-12(14(11)9-13)7-8-15-10-16/h2-6,9-10H,7-8H2,1H3,(H,15,16).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide has a molecular weight of 229.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]formamide is sourced from PubChem (CID 3071657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).