3-(7-methoxynaphthalen-1-yl)butanamide

C15H17NO2 — CID 57236760

IUPAC3-(7-methoxynaphthalen-1-yl)butanamide
SMILESCOc1ccc2cccc(C(C)CC(N)=O)c2c1
InChIInChI=1S/C15H17NO2/c1-10(8-15(16)17)13-5-3-4-11-6-7-12(18-2)9-14(11)13/h3-7,9-10H,8H2,1-2H3,(H2,16,17)
InChIKeyROOWSUGPANMNHO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.83
Rot. Bonds4

About 3-(7-methoxynaphthalen-1-yl)butanamide

3-(7-methoxynaphthalen-1-yl)butanamide (PubChem CID 57236760) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(7-methoxynaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name3-(7-methoxynaphthalen-1-yl)butanamide
PubChem CID57236760
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(7-methoxynaphthalen-1-yl)butanamide
SMILESCOc1ccc2cccc(C(C)CC(N)=O)c2c1
InChIInChI=1S/C15H17NO2/c1-10(8-15(16)17)13-5-3-4-11-6-7-12(18-2)9-14(11)13/h3-7,9-10H,8H2,1-2H3,(H2,16,17)
InChIKeyROOWSUGPANMNHO-UHFFFAOYSA-N
XLogP2.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-methoxynaphthalen-1-yl)heptanamide
CID 57192600
3-(7-methoxynaphthalen-1-yl)octanamide
CID 57205091
2-(7-methoxynaphthalen-1-yl)butanamide
CID 57299738
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
2-(7-methoxynaphthalen-1-yl)hexanamide
CID 57317749
3-(7-methoxynaphthalen-1-yl)-2-methylbutan-2-amine
CID 67652493
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
N-[2-(7-methoxynaphthalen-1-yl)-3-sulfanylpropyl]acetamide
CID 72702442
3-iodo-3-(6-methoxynaphthalen-2-yl)propanamide
CID 121344916
1-(dimethylamino)-1-(7-methoxynaphthalen-1-yl)urea
CID 70274978
ethane;(E)-3-(7-methoxynaphthalen-1-yl)prop-2-enamide
CID 144612318

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxynaphthalen-1-yl)butanamide?
The IUPAC name of 3-(7-methoxynaphthalen-1-yl)butanamide (CID 57236760) is 3-(7-methoxynaphthalen-1-yl)butanamide.
What is the SMILES notation for 3-(7-methoxynaphthalen-1-yl)butanamide?
The canonical SMILES for 3-(7-methoxynaphthalen-1-yl)butanamide is COc1ccc2cccc(C(C)CC(N)=O)c2c1.
What is the InChIKey of 3-(7-methoxynaphthalen-1-yl)butanamide?
The InChIKey is ROOWSUGPANMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(8-15(16)17)13-5-3-4-11-6-7-12(18-2)9-14(11)13/h3-7,9-10H,8H2,1-2H3,(H2,16,17).
What are the key properties of 3-(7-methoxynaphthalen-1-yl)butanamide?
3-(7-methoxynaphthalen-1-yl)butanamide has a molecular weight of 243.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxynaphthalen-1-yl)butanamide is sourced from PubChem (CID 57236760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).