3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide

C16H25N3O — CID 81466811

IUPAC3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC2CC(C)N(C)C2)c1
InChIInChI=1S/C16H25N3O/c1-11(2)17-16(20)13-6-5-7-14(9-13)18-15-8-12(3)19(4)10-15/h5-7,9,11-12,15,18H,8,10H2,1-4H3,(H,17,20)
InChIKeyFBSUAWNPLHXOGK-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.33
Rot. Bonds4

About 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide

3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide (PubChem CID 81466811) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide
PubChem CID81466811
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC2CC(C)N(C)C2)c1
InChIInChI=1S/C16H25N3O/c1-11(2)17-16(20)13-6-5-7-14(9-13)18-15-8-12(3)19(4)10-15/h5-7,9,11-12,15,18H,8,10H2,1-4H3,(H,17,20)
InChIKeyFBSUAWNPLHXOGK-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide 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-[(3-methylcyclobutyl)amino]-N-propan-2-ylbenzamide
CID 104860210
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
[3-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]urea
CID 81466059
4-[(1,5-dimethylpyrrolidin-3-yl)amino]benzoic acid
CID 81466326
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-[(2-ethylcyclopentyl)amino]-N-propan-2-ylbenzamide
CID 115928884
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 60616745
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
3-(cyclopropanecarbonylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 17197683
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide (CID 81466811) is 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC2CC(C)N(C)C2)c1.
What is the InChIKey of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide?
The InChIKey is FBSUAWNPLHXOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)17-16(20)13-6-5-7-14(9-13)18-15-8-12(3)19(4)10-15/h5-7,9,11-12,15,18H,8,10H2,1-4H3,(H,17,20).
What are the key properties of 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide?
3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 81466811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).