N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide

C21H29N3O — CID 50948802

IUPACN-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide
SMILESCc1ccc(NC(=O)CNC(CC(C)(C)C)c2cccnc2)c(C)c1
InChIInChI=1S/C21H29N3O/c1-15-8-9-18(16(2)11-15)24-20(25)14-23-19(12-21(3,4)5)17-7-6-10-22-13-17/h6-11,13,19,23H,12,14H2,1-5H3,(H,24,25)
InChIKeyYCTSEBSOLPCRRO-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.40
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide

N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide (PubChem CID 50948802) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide
PubChem CID50948802
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide
SMILESCc1ccc(NC(=O)CNC(CC(C)(C)C)c2cccnc2)c(C)c1
InChIInChI=1S/C21H29N3O/c1-15-8-9-18(16(2)11-15)24-20(25)14-23-19(12-21(3,4)5)17-7-6-10-22-13-17/h6-11,13,19,23H,12,14H2,1-5H3,(H,24,25)
InChIKeyYCTSEBSOLPCRRO-UHFFFAOYSA-N
XLogP4.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]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

N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
N-(2-chloro-4-methylphenyl)-3-(1-pyridin-3-ylethylamino)propanamide
CID 75515340
(2S)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194479
N-(5-chloro-2-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 81395668
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81396572
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
CID 112996368
N-(2,4-dimethylphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696064
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898040
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151652
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide (CID 50948802) is N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide is Cc1ccc(NC(=O)CNC(CC(C)(C)C)c2cccnc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide?
The InChIKey is YCTSEBSOLPCRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-8-9-18(16(2)11-15)24-20(25)14-23-19(12-21(3,4)5)17-7-6-10-22-13-17/h6-11,13,19,23H,12,14H2,1-5H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide?
N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(3,3-dimethyl-1-pyridin-3-ylbutyl)amino]acetamide is sourced from PubChem (CID 50948802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).