4-[methyl(propan-2-yl)amino]-N-propylbenzamide

C14H22N2O — CID 91434039

IUPAC4-[methyl(propan-2-yl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N(C)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-5-10-15-14(17)12-6-8-13(9-7-12)16(4)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,15,17)
InChIKeyLAZBCGIOBXBQMS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.67
Rot. Bonds5

About 4-[methyl(propan-2-yl)amino]-N-propylbenzamide

4-[methyl(propan-2-yl)amino]-N-propylbenzamide (PubChem CID 91434039) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]-N-propylbenzamide
PubChem CID91434039
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[methyl(propan-2-yl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N(C)C(C)C)cc1
InChIInChI=1S/C14H22N2O/c1-5-10-15-14(17)12-6-8-13(9-7-12)16(4)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,15,17)
InChIKeyLAZBCGIOBXBQMS-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[methyl(propan-2-yl)amino]-N-propylbenzamide 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-[methyl(methylsulfonyl)amino]-N-propylbenzamide
CID 53279666
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
ethane;4-ethyl-N-propylbenzamide
CID 142831348
4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide
CID 135010293
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[3-(methylamino)propyl]-4-[methyl(propyl)amino]benzamide;dihydrochloride
CID 119434376
4-(dimethylamino)-N-(4-hydroxypentyl)benzamide
CID 107329726

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)amino]-N-propylbenzamide?
The IUPAC name of 4-[methyl(propan-2-yl)amino]-N-propylbenzamide (CID 91434039) is 4-[methyl(propan-2-yl)amino]-N-propylbenzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]-N-propylbenzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]-N-propylbenzamide is CCCNC(=O)c1ccc(N(C)C(C)C)cc1.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]-N-propylbenzamide?
The InChIKey is LAZBCGIOBXBQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-10-15-14(17)12-6-8-13(9-7-12)16(4)11(2)3/h6-9,11H,5,10H2,1-4H3,(H,15,17).
What are the key properties of 4-[methyl(propan-2-yl)amino]-N-propylbenzamide?
4-[methyl(propan-2-yl)amino]-N-propylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]-N-propylbenzamide is sourced from PubChem (CID 91434039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).