3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide

C16H24N2O2 — CID 113118369

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)Cc1ccccc1C
InChIInChI=1S/C16H24N2O2/c1-12(2)17-16(20)9-10-18(14(4)19)11-15-8-6-5-7-13(15)3/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyRWEUVXSHYJGMEI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds6

About 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 113118369) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID113118369
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)C)Cc1ccccc1C
InChIInChI=1S/C16H24N2O2/c1-12(2)17-16(20)9-10-18(14(4)19)11-15-8-6-5-7-13(15)3/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyRWEUVXSHYJGMEI-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide 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

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113118495
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
CID 113161359
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 113161382
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-butan-2-ylpropanamide
CID 113119070
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
CID 113118534
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
ethyl 4-[3-[acetyl-[(2-methylphenyl)methyl]amino]propanoylamino]benzoate
CID 113118522
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 113118369) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is CC(=O)N(CCC(=O)NC(C)C)Cc1ccccc1C.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is RWEUVXSHYJGMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)17-16(20)9-10-18(14(4)19)11-15-8-6-5-7-13(15)3/h5-8,12H,9-11H2,1-4H3,(H,17,20).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113118369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).