2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide

C15H23NO — CID 78814712

IUPAC2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
SMILESCC(C)Cc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-11(2)9-13-5-7-14(8-6-13)10-15(17)16-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeyQEBRRVBANBJCQR-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.95
Rot. Bonds5

About 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide

2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide (PubChem CID 78814712) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
PubChem CID78814712
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
SMILESCC(C)Cc1ccc(CC(=O)NC(C)C)cc1
InChIInChI=1S/C15H23NO/c1-11(2)9-13-5-7-14(8-6-13)10-15(17)16-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeyQEBRRVBANBJCQR-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide 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 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide (CID 78814712) is 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide is CC(C)Cc1ccc(CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide?
The InChIKey is QEBRRVBANBJCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)9-13-5-7-14(8-6-13)10-15(17)16-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide?
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide has a molecular weight of 233.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 78814712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).