N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide

C19H23NO2 — CID 10661735

IUPACN-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23
InChIInChI=1S/C19H23NO2/c1-3-5-17(21)20-11-10-15-12-14-7-4-6-13-8-9-16(22-2)19(15)18(13)14/h4,6-9,15H,3,5,10-12H2,1-2H3,(H,20,21)
InChIKeyMKSAHXNIYUYOHR-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.79
Rot. Bonds6

About N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide

N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide (PubChem CID 10661735) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide
PubChem CID10661735
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23
InChIInChI=1S/C19H23NO2/c1-3-5-17(21)20-11-10-15-12-14-7-4-6-13-8-9-16(22-2)19(15)18(13)14/h4,6-9,15H,3,5,10-12H2,1-2H3,(H,20,21)
InChIKeyMKSAHXNIYUYOHR-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide (CID 10661735) is N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide is CCCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23.
What is the InChIKey of N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide?
The InChIKey is MKSAHXNIYUYOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-5-17(21)20-11-10-15-12-14-7-4-6-13-8-9-16(22-2)19(15)18(13)14/h4,6-9,15H,3,5,10-12H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide?
N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide has a molecular weight of 297.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide is sourced from PubChem (CID 10661735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).