N-methyl-3-(2-propan-2-ylanilino)propanamide

C13H20N2O — CID 62325491

IUPACN-methyl-3-(2-propan-2-ylanilino)propanamide
SMILESCNC(=O)CCNc1ccccc1C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)11-6-4-5-7-12(11)15-9-8-13(16)14-3/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyFXAXYHSIBDVUGX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.36
Rot. Bonds5

About N-methyl-3-(2-propan-2-ylanilino)propanamide

N-methyl-3-(2-propan-2-ylanilino)propanamide (PubChem CID 62325491) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-3-(2-propan-2-ylanilino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-propan-2-ylanilino)propanamide
PubChem CID62325491
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-methyl-3-(2-propan-2-ylanilino)propanamide
SMILESCNC(=O)CCNc1ccccc1C(C)C
InChIInChI=1S/C13H20N2O/c1-10(2)11-6-4-5-7-12(11)15-9-8-13(16)14-3/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyFXAXYHSIBDVUGX-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methyl-3-(2-propan-2-ylanilino)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

N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
N-(1-phenylethyl)-3-(2-propan-2-ylanilino)propanamide
CID 109020135
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N-(3,4-dimethylphenyl)-3-(2-propan-2-ylanilino)propanamide
CID 109035429
N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
CID 109031466
N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
CID 109014020
N,N'-bis(2-propan-2-ylphenyl)ethane-1,2-diamine;hydrochloride
CID 158304754
N-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-ylanilino)propanamide
CID 109024992
2-(2-propan-2-ylanilino)ethanol
CID 28574084
3-(2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109036753
3-(3,5-dimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 109035686

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propan-2-ylanilino)propanamide?
The IUPAC name of N-methyl-3-(2-propan-2-ylanilino)propanamide (CID 62325491) is N-methyl-3-(2-propan-2-ylanilino)propanamide.
What is the SMILES notation for N-methyl-3-(2-propan-2-ylanilino)propanamide?
The canonical SMILES for N-methyl-3-(2-propan-2-ylanilino)propanamide is CNC(=O)CCNc1ccccc1C(C)C.
What is the InChIKey of N-methyl-3-(2-propan-2-ylanilino)propanamide?
The InChIKey is FXAXYHSIBDVUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)11-6-4-5-7-12(11)15-9-8-13(16)14-3/h4-7,10,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-3-(2-propan-2-ylanilino)propanamide?
N-methyl-3-(2-propan-2-ylanilino)propanamide has a molecular weight of 220.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propan-2-ylanilino)propanamide is sourced from PubChem (CID 62325491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).