3,4,4-trimethyl-2-naphthalen-1-ylpentanamide

C18H23NO — CID 56996673

IUPAC3,4,4-trimethyl-2-naphthalen-1-ylpentanamide
SMILESCC(C(C(N)=O)c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C18H23NO/c1-12(18(2,3)4)16(17(19)20)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,16H,1-4H3,(H2,19,20)
InChIKeyKPWHGCQFNLJCSX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.09
Rot. Bonds3

About 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide

3,4,4-trimethyl-2-naphthalen-1-ylpentanamide (PubChem CID 56996673) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-2-naphthalen-1-ylpentanamide
PubChem CID56996673
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3,4,4-trimethyl-2-naphthalen-1-ylpentanamide
SMILESCC(C(C(N)=O)c1cccc2ccccc12)C(C)(C)C
InChIInChI=1S/C18H23NO/c1-12(18(2,3)4)16(17(19)20)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,16H,1-4H3,(H2,19,20)
InChIKeyKPWHGCQFNLJCSX-UHFFFAOYSA-N
XLogP4.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide?
The IUPAC name of 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide (CID 56996673) is 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide.
What is the SMILES notation for 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide?
The canonical SMILES for 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide is CC(C(C(N)=O)c1cccc2ccccc12)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide?
The InChIKey is KPWHGCQFNLJCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12(18(2,3)4)16(17(19)20)15-11-7-9-13-8-5-6-10-14(13)15/h5-12,16H,1-4H3,(H2,19,20).
What are the key properties of 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide?
3,4,4-trimethyl-2-naphthalen-1-ylpentanamide has a molecular weight of 269.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-2-naphthalen-1-ylpentanamide is sourced from PubChem (CID 56996673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).