3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide

C15H25N3O2 — CID 106914387

IUPAC3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cccc(OC(C)C)c1N
InChIInChI=1S/C15H25N3O2/c1-10(2)20-13-8-6-7-12(14(13)16)18(5)9-11(3)15(19)17-4/h6-8,10-11H,9,16H2,1-5H3,(H,17,19)
InChIKeyWSTKGZCDULDQEJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds6

About 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide

3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide (PubChem CID 106914387) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
PubChem CID106914387
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1cccc(OC(C)C)c1N
InChIInChI=1S/C15H25N3O2/c1-10(2)20-13-8-6-7-12(14(13)16)18(5)9-11(3)15(19)17-4/h6-8,10-11H,9,16H2,1-5H3,(H,17,19)
InChIKeyWSTKGZCDULDQEJ-UHFFFAOYSA-N
XLogP1.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide 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-(2-amino-N-methyl-3-propan-2-yloxyanilino)acetamide
CID 113393311
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
1-N-methyl-1-N-[2-(methylamino)ethyl]-3-propan-2-yloxybenzene-1,2-diamine
CID 113393377
3-[3-fluoro-2-(1-hydroxyethyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916443
3-[2-(1-hydroxypropyl)-N-methylanilino]-N,2-dimethylpropanamide
CID 106916440
3-(4-amino-2-iodo-N-methylanilino)-N,2-dimethylpropanamide
CID 106914273
2-amino-3-fluoro-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106916094
3-[2-amino-5-(difluoromethoxy)-4-fluoro-N-methylanilino]-N,2-dimethylpropanamide
CID 106914404
methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate
CID 117029474
4-amino-N-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzamide
CID 106914354
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918727
3-(2-amino-N-methyl-4-sulfamoylanilino)-N,2-dimethylpropanamide
CID 106914323

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide?
The IUPAC name of 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide (CID 106914387) is 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide?
The canonical SMILES for 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1cccc(OC(C)C)c1N.
What is the InChIKey of 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide?
The InChIKey is WSTKGZCDULDQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)20-13-8-6-7-12(14(13)16)18(5)9-11(3)15(19)17-4/h6-8,10-11H,9,16H2,1-5H3,(H,17,19).
What are the key properties of 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide?
3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-methyl-3-propan-2-yloxyanilino)-N,2-dimethylpropanamide is sourced from PubChem (CID 106914387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).