4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide

C15H21N3O2 — CID 60868168

IUPAC4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCNC2CC2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-10-9-11(15(20)16-2)3-6-13(10)18-14(19)7-8-17-12-4-5-12/h3,6,9,12,17H,4-5,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYBIKAUHSEBIROB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.44
Rot. Bonds6

About 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide

4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide (PubChem CID 60868168) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
PubChem CID60868168
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCNC2CC2)c(C)c1
InChIInChI=1S/C15H21N3O2/c1-10-9-11(15(20)16-2)3-6-13(10)18-14(19)7-8-17-12-4-5-12/h3,6,9,12,17H,4-5,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyYBIKAUHSEBIROB-UHFFFAOYSA-N
XLogP1.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide 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-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 119621175
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174
3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
CID 103145444
N,3-dimethyl-4-[[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]amino]benzamide
CID 131931613

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide (CID 60868168) is 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)CCNC2CC2)c(C)c1.
What is the InChIKey of 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide?
The InChIKey is YBIKAUHSEBIROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-9-11(15(20)16-2)3-6-13(10)18-14(19)7-8-17-12-4-5-12/h3,6,9,12,17H,4-5,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide?
4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylamino)propanoylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 60868168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).