2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

C15H25N3O — CID 106033190

IUPAC2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCc1cccc(C(=O)NCCCN(C)C(C)C)c1N
InChIInChI=1S/C15H25N3O/c1-11(2)18(4)10-6-9-17-15(19)13-8-5-7-12(3)14(13)16/h5,7-8,11H,6,9-10,16H2,1-4H3,(H,17,19)
InChIKeyMIGSDLUKOQNAID-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.04
Rot. Bonds6

About 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide

2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (PubChem CID 106033190) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
PubChem CID106033190
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
SMILESCc1cccc(C(=O)NCCCN(C)C(C)C)c1N
InChIInChI=1S/C15H25N3O/c1-11(2)18(4)10-6-9-17-15(19)13-8-5-7-12(3)14(13)16/h5,7-8,11H,6,9-10,16H2,1-4H3,(H,17,19)
InChIKeyMIGSDLUKOQNAID-UHFFFAOYSA-N
XLogP2.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide 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-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
2-amino-3-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 113331750
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
3-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-2-nitrobenzamide
CID 106050162
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
CID 62060153
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 62159579
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010
2-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106049567
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106033015

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The IUPAC name of 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide (CID 106033190) is 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is Cc1cccc(C(=O)NCCCN(C)C(C)C)c1N.
What is the InChIKey of 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
The InChIKey is MIGSDLUKOQNAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18(4)10-6-9-17-15(19)13-8-5-7-12(3)14(13)16/h5,7-8,11H,6,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide?
2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide has a molecular weight of 263.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 106033190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).