3-[1-(2,5-dimethylphenyl)ethylamino]propanamide

C13H20N2O — CID 43398362

IUPAC3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
SMILESCc1ccc(C)c(C(C)NCCC(N)=O)c1
InChIInChI=1S/C13H20N2O/c1-9-4-5-10(2)12(8-9)11(3)15-7-6-13(14)16/h4-5,8,11,15H,6-7H2,1-3H3,(H2,14,16)
InChIKeyDWIJRELVAGVCIK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.83
Rot. Bonds5

About 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide

3-[1-(2,5-dimethylphenyl)ethylamino]propanamide (PubChem CID 43398362) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
PubChem CID43398362
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
SMILESCc1ccc(C)c(C(C)NCCC(N)=O)c1
InChIInChI=1S/C13H20N2O/c1-9-4-5-10(2)12(8-9)11(3)15-7-6-13(14)16/h4-5,8,11,15H,6-7H2,1-3H3,(H2,14,16)
InChIKeyDWIJRELVAGVCIK-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide 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-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanamide
CID 43553192
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967
3-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]propanamide
CID 63639953
4-(2,5-dimethylphenyl)-4-hydroxybutanamide
CID 82112992
methyl 3-[1-(2,4-dimethylphenyl)ethylamino]propanoate
CID 43139725
1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
CID 115729117
2-[2-[1-(2,5-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738423
3-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82079612
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide
CID 60865371
3-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 43400395

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide?
The IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide (CID 43398362) is 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide.
What is the SMILES notation for 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide?
The canonical SMILES for 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide is Cc1ccc(C)c(C(C)NCCC(N)=O)c1.
What is the InChIKey of 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide?
The InChIKey is DWIJRELVAGVCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-5-10(2)12(8-9)11(3)15-7-6-13(14)16/h4-5,8,11,15H,6-7H2,1-3H3,(H2,14,16).
What are the key properties of 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide?
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylphenyl)ethylamino]propanamide is sourced from PubChem (CID 43398362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).