2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide

C16H27N3O — CID 115378141

IUPAC2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-7-16(3,4)18-15(20)11-17-13-9-8-12(2)14(10-13)19(5)6/h8-10,17H,7,11H2,1-6H3,(H,18,20)
InChIKeyZWIOYACTTXFNPK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds6

About 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide

2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 115378141) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID115378141
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1ccc(C)c(N(C)C)c1
InChIInChI=1S/C16H27N3O/c1-7-16(3,4)18-15(20)11-17-13-9-8-12(2)14(10-13)19(5)6/h8-10,17H,7,11H2,1-6H3,(H,18,20)
InChIKeyZWIOYACTTXFNPK-UHFFFAOYSA-N
XLogP2.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)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-(3-fluoro-4-methylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60672268
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 113297775
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylpropyl)acetamide
CID 115378145
N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 115378318
2-(4-fluoroanilino)-N-(2-methylbutan-2-yl)acetamide
CID 60671142
1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 106437984
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60674268
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
N-(2-methylbutan-2-yl)-2-[3-methyl-4-(tetrazol-1-yl)anilino]acetamide
CID 32974148
2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
CID 113297783
2-(4-bromo-2,6-dimethylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 61063414
2-[(6-methoxy-3-pyridinyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 54956647

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide (CID 115378141) is 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1ccc(C)c(N(C)C)c1.
What is the InChIKey of 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is ZWIOYACTTXFNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-7-16(3,4)18-15(20)11-17-13-9-8-12(2)14(10-13)19(5)6/h8-10,17H,7,11H2,1-6H3,(H,18,20).
What are the key properties of 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide?
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 115378141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).