2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

C17H27N3O — CID 62174346

IUPAC2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCCCNc1ccccc1C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-10-18-16-9-5-4-8-15(16)17(21)19-14(2)13-20-11-6-7-12-20/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyLHOVWAASWUHEDW-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.72
Rot. Bonds7

About 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide

2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (PubChem CID 62174346) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
PubChem CID62174346
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
SMILESCCCNc1ccccc1C(=O)NC(C)CN1CCCC1
InChIInChI=1S/C17H27N3O/c1-3-10-18-16-9-5-4-8-15(16)17(21)19-14(2)13-20-11-6-7-12-20/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyLHOVWAASWUHEDW-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)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

N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-(propylamino)benzamide
CID 63107753
4-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 81240259
methyl 2-[[2-(propylamino)benzoyl]amino]propanoate
CID 63108414
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
3-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 105069457
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025186
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide (CID 62174346) is 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is CCCNc1ccccc1C(=O)NC(C)CN1CCCC1.
What is the InChIKey of 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
The InChIKey is LHOVWAASWUHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-10-18-16-9-5-4-8-15(16)17(21)19-14(2)13-20-11-6-7-12-20/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3,(H,19,21).
What are the key properties of 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide?
2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 62174346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).