3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide

C14H20N4O2 — CID 82989263

IUPAC3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N(C)CC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C14H20N4O2/c1-16-14(20)9-3-6-12(11(15)7-9)18(2)8-13(19)17-10-4-5-10/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyVPHQPJQKCUDYCB-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.34
Rot. Bonds5

About 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide

3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide (PubChem CID 82989263) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
PubChem CID82989263
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N(C)CC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C14H20N4O2/c1-16-14(20)9-3-6-12(11(15)7-9)18(2)8-13(19)17-10-4-5-10/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyVPHQPJQKCUDYCB-UHFFFAOYSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide 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

2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
methyl 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoate
CID 82785492
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
3-amino-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-N-methylbenzamide
CID 82999655
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
3-amino-4-(dimethylamino)-N-(4-ethylcyclohexyl)benzamide
CID 61466151
3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
CID 105414144
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
CID 82989264
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide (CID 82989263) is 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N(C)CC(=O)NC2CC2)c(N)c1.
What is the InChIKey of 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide?
The InChIKey is VPHQPJQKCUDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-16-14(20)9-3-6-12(11(15)7-9)18(2)8-13(19)17-10-4-5-10/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide?
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide is sourced from PubChem (CID 82989263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).