4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide

C20H33N3O2 — CID 50967194

IUPAC4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)N(C)C(C)(C)C(=O)NC)cc1
InChIInChI=1S/C20H33N3O2/c1-7-13-23(14-8-2)15-16-9-11-17(12-10-16)18(24)22(6)20(3,4)19(25)21-5/h9-12H,7-8,13-15H2,1-6H3,(H,21,25)
InChIKeyZHKNCMXFFLCQTI-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.91
Rot. Bonds9

About 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide

4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 50967194) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide
PubChem CID50967194
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)N(C)C(C)(C)C(=O)NC)cc1
InChIInChI=1S/C20H33N3O2/c1-7-13-23(14-8-2)15-16-9-11-17(12-10-16)18(24)22(6)20(3,4)19(25)21-5/h9-12H,7-8,13-15H2,1-6H3,(H,21,25)
InChIKeyZHKNCMXFFLCQTI-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-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

4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
CID 79662080
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524
4-[[3-carboxypropyl(propyl)amino]methyl]benzoic acid
CID 59265022
4-[[bis(2-hydroxyethyl)amino]methyl]-N,N-dimethylbenzamide
CID 111487813
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
2-[[4-[2-[4-[[cyclopropyl(methyl)amino]methyl]phenyl]ethynyl]benzoyl]-methylamino]-N-hydroxy-N',2-dimethylpropanediamide
CID 89413419
N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide
CID 151032584
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
methyl 2-[(4-tert-butylphenyl)methyl-propylamino]acetate
CID 61036084
2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone
CID 50985068
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide (CID 50967194) is 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide is CCCN(CCC)Cc1ccc(C(=O)N(C)C(C)(C)C(=O)NC)cc1.
What is the InChIKey of 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is ZHKNCMXFFLCQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-13-23(14-8-2)15-16-9-11-17(12-10-16)18(24)22(6)20(3,4)19(25)21-5/h9-12H,7-8,13-15H2,1-6H3,(H,21,25).
What are the key properties of 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide?
4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 347.50 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 50967194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).