4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

C14H20N4O2 — CID 63360878

IUPAC4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCC(=O)NC2CC2)c1
InChIInChI=1S/C14H20N4O2/c1-18(2)14(20)9-3-6-11(15)12(7-9)16-8-13(19)17-10-4-5-10/h3,6-7,10,16H,4-5,8,15H2,1-2H3,(H,17,19)
InChIKeyOZUGFBYOGWXCGZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.66
Rot. Bonds5

About 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 63360878) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID63360878
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCC(=O)NC2CC2)c1
InChIInChI=1S/C14H20N4O2/c1-18(2)14(20)9-3-6-11(15)12(7-9)16-8-13(19)17-10-4-5-10/h3,6-7,10,16H,4-5,8,15H2,1-2H3,(H,17,19)
InChIKeyOZUGFBYOGWXCGZ-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
2-(2-amino-5-sulfamoylanilino)-N-cyclopropylacetamide
CID 82907918
2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
CID 114281228
4-amino-N,N-dimethyl-3-[(3-methylcyclopentyl)methylamino]benzamide
CID 107411309
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 64740893
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
4-amino-N,N-dimethyl-3-(oxan-4-ylamino)benzamide
CID 63360793
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 63360878) is 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(NCC(=O)NC2CC2)c1.
What is the InChIKey of 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is OZUGFBYOGWXCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18(2)14(20)9-3-6-11(15)12(7-9)16-8-13(19)17-10-4-5-10/h3,6-7,10,16H,4-5,8,15H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 276.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 63360878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).