N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide

C17H19NO — CID 10515048

IUPACN-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide
SMILESCCCC(=O)NCC1Cc2cccc3cccc1c23
InChIInChI=1S/C17H19NO/c1-2-5-16(19)18-11-14-10-13-8-3-6-12-7-4-9-15(14)17(12)13/h3-4,6-9,14H,2,5,10-11H2,1H3,(H,18,19)
InChIKeyRBHKOXOMHRAMGH-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.40
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide

N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide (PubChem CID 10515048) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide
PubChem CID10515048
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide
SMILESCCCC(=O)NCC1Cc2cccc3cccc1c23
InChIInChI=1S/C17H19NO/c1-2-5-16(19)18-11-14-10-13-8-3-6-12-7-4-9-15(14)17(12)13/h3-4,6-9,14H,2,5,10-11H2,1H3,(H,18,19)
InChIKeyRBHKOXOMHRAMGH-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide (CID 10515048) is N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide is CCCC(=O)NCC1Cc2cccc3cccc1c23.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide?
The InChIKey is RBHKOXOMHRAMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-5-16(19)18-11-14-10-13-8-3-6-12-7-4-9-15(14)17(12)13/h3-4,6-9,14H,2,5,10-11H2,1H3,(H,18,19).
What are the key properties of N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide?
N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide has a molecular weight of 253.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-1-ylmethyl)butanamide is sourced from PubChem (CID 10515048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).