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

C17H21NO2 — CID 3071630

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide
SMILESCOc1ccc2cccc(CCNC(=O)C(C)C)c2c1
InChIInChI=1S/C17H21NO2/c1-12(2)17(19)18-10-9-14-6-4-5-13-7-8-15(20-3)11-16(13)14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)
InChIKeyKAKIYDSAWRUMNQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds5

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

N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide (PubChem CID 3071630) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide
PubChem CID3071630
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide
SMILESCOc1ccc2cccc(CCNC(=O)C(C)C)c2c1
InChIInChI=1S/C17H21NO2/c1-12(2)17(19)18-10-9-14-6-4-5-13-7-8-15(20-3)11-16(13)14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)
InChIKeyKAKIYDSAWRUMNQ-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide (CID 3071630) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide is COc1ccc2cccc(CCNC(=O)C(C)C)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide?
The InChIKey is KAKIYDSAWRUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)17(19)18-10-9-14-6-4-5-13-7-8-15(20-3)11-16(13)14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-2-methylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 3.16, 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]-2-methylpropanamide is sourced from PubChem (CID 3071630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).