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

C18H21NO — CID 10611901

IUPACN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1Cc2cccc3cccc1c23
InChIInChI=1S/C18H21NO/c1-2-5-17(20)19-11-10-14-12-15-8-3-6-13-7-4-9-16(14)18(13)15/h3-4,6-9,14H,2,5,10-12H2,1H3,(H,19,20)
InChIKeyKAKINKLEWJJUFS-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.79
Rot. Bonds5

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

N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide (PubChem CID 10611901) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide
PubChem CID10611901
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1Cc2cccc3cccc1c23
InChIInChI=1S/C18H21NO/c1-2-5-17(20)19-11-10-14-12-15-8-3-6-13-7-4-9-16(14)18(13)15/h3-4,6-9,14H,2,5,10-12H2,1H3,(H,19,20)
InChIKeyKAKINKLEWJJUFS-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide?
The IUPAC name of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide (CID 10611901) is N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide is CCCC(=O)NCCC1Cc2cccc3cccc1c23.
What is the InChIKey of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide?
The InChIKey is KAKINKLEWJJUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-5-17(20)19-11-10-14-12-15-8-3-6-13-7-4-9-16(14)18(13)15/h3-4,6-9,14H,2,5,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide?
N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide has a molecular weight of 267.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]butanamide is sourced from PubChem (CID 10611901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).