N,N-diethyl-3-(methylcarbamoylamino)benzamide

C13H19N3O2 — CID 47173763

IUPACN,N-diethyl-3-(methylcarbamoylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)NC)c1
InChIInChI=1S/C13H19N3O2/c1-4-16(5-2)12(17)10-7-6-8-11(9-10)15-13(18)14-3/h6-9H,4-5H2,1-3H3,(H2,14,15,18)
InChIKeyQDBKGBYXOBOYSZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.92
Rot. Bonds4

About N,N-diethyl-3-(methylcarbamoylamino)benzamide

N,N-diethyl-3-(methylcarbamoylamino)benzamide (PubChem CID 47173763) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N,N-diethyl-3-(methylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(methylcarbamoylamino)benzamide
PubChem CID47173763
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN,N-diethyl-3-(methylcarbamoylamino)benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)NC)c1
InChIInChI=1S/C13H19N3O2/c1-4-16(5-2)12(17)10-7-6-8-11(9-10)15-13(18)14-3/h6-9H,4-5H2,1-3H3,(H2,14,15,18)
InChIKeyQDBKGBYXOBOYSZ-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-(propylcarbamoylamino)benzamide
CID 47103496
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(methylcarbamoylamino)benzamide?
The IUPAC name of N,N-diethyl-3-(methylcarbamoylamino)benzamide (CID 47173763) is N,N-diethyl-3-(methylcarbamoylamino)benzamide.
What is the SMILES notation for N,N-diethyl-3-(methylcarbamoylamino)benzamide?
The canonical SMILES for N,N-diethyl-3-(methylcarbamoylamino)benzamide is CCN(CC)C(=O)c1cccc(NC(=O)NC)c1.
What is the InChIKey of N,N-diethyl-3-(methylcarbamoylamino)benzamide?
The InChIKey is QDBKGBYXOBOYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-16(5-2)12(17)10-7-6-8-11(9-10)15-13(18)14-3/h6-9H,4-5H2,1-3H3,(H2,14,15,18).
What are the key properties of N,N-diethyl-3-(methylcarbamoylamino)benzamide?
N,N-diethyl-3-(methylcarbamoylamino)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(methylcarbamoylamino)benzamide is sourced from PubChem (CID 47173763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).