N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide

C17H19NO — CID 884076

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO/c1-11(2)10-16(19)18-15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyDNAIQSLCBFLKRQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.92
Rot. Bonds3

About N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide

N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide (PubChem CID 884076) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide
PubChem CID884076
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H19NO/c1-11(2)10-16(19)18-15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,19)
InChIKeyDNAIQSLCBFLKRQ-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.92
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-5-yl)-3-methylbutanamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide (CID 884076) is N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide?
The InChIKey is DNAIQSLCBFLKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11(2)10-16(19)18-15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,18,19).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide?
N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide has a molecular weight of 253.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-3-methylbutanamide is sourced from PubChem (CID 884076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).