N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide

C14H21NO — CID 115191406

IUPACN-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO/c1-10-6-7-13(11(2)8-10)14(4,5)9-15-12(3)16/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyKNIYRDGGWKCSRZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds3

About N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide

N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide (PubChem CID 115191406) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
PubChem CID115191406
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)c1ccc(C)cc1C
InChIInChI=1S/C14H21NO/c1-10-6-7-13(11(2)8-10)14(4,5)9-15-12(3)16/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyKNIYRDGGWKCSRZ-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191394
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202
2-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115173418
3-cyano-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]propanamide
CID 115174062
N-[2-(5-tert-butyl-2-methylphenyl)-2-methylpropyl]acetamide
CID 115191413
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-3-oxobutanamide
CID 115176650
(E)-4-[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237403
2-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152822
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
1-amino-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190062
3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide (CID 115191406) is N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide is CC(=O)NCC(C)(C)c1ccc(C)cc1C.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide?
The InChIKey is KNIYRDGGWKCSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-6-7-13(11(2)8-10)14(4,5)9-15-12(3)16/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide?
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide has a molecular weight of 219.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115191406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).