4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide

C13H17N3O2 — CID 114996355

IUPAC4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CC2N)cc1
InChIInChI=1S/C13H17N3O2/c1-16(2)13(18)8-3-5-9(6-4-8)15-12(17)10-7-11(10)14/h3-6,10-11H,7,14H2,1-2H3,(H,15,17)
InChIKeyGRHUXLKRXZPXBH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.67
Rot. Bonds3

About 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide

4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide (PubChem CID 114996355) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide
PubChem CID114996355
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C2CC2N)cc1
InChIInChI=1S/C13H17N3O2/c1-16(2)13(18)8-3-5-9(6-4-8)15-12(17)10-7-11(10)14/h3-6,10-11H,7,14H2,1-2H3,(H,15,17)
InChIKeyGRHUXLKRXZPXBH-UHFFFAOYSA-N
XLogP0.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]-N,N-dimethylbenzamide
CID 79211253
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 43702382
(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119684891
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
N-[4-(dimethylcarbamoyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729111
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide (CID 114996355) is 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)C2CC2N)cc1.
What is the InChIKey of 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide?
The InChIKey is GRHUXLKRXZPXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(2)13(18)8-3-5-9(6-4-8)15-12(17)10-7-11(10)14/h3-6,10-11H,7,14H2,1-2H3,(H,15,17).
What are the key properties of 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide?
4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide has a molecular weight of 247.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopropanecarbonyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 114996355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).