4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

C13H19N3O2 — CID 55163644

IUPAC4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCNc1ccc(C(=O)NCC(=O)NC)cc1C
InChIInChI=1S/C13H19N3O2/c1-4-15-11-6-5-10(7-9(11)2)13(18)16-8-12(17)14-3/h5-7,15H,4,8H2,1-3H3,(H,14,17)(H,16,18)
InChIKeyWMBRQMDVBFJKLV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.90
Rot. Bonds5

About 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide

4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 55163644) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID55163644
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCCNc1ccc(C(=O)NCC(=O)NC)cc1C
InChIInChI=1S/C13H19N3O2/c1-4-15-11-6-5-10(7-9(11)2)13(18)16-8-12(17)14-3/h5-7,15H,4,8H2,1-3H3,(H,14,17)(H,16,18)
InChIKeyWMBRQMDVBFJKLV-UHFFFAOYSA-N
XLogP0.90
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 32559240
4-(ethylamino)-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79558034
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
CID 115327258
methyl 4-(ethylamino)-3-methylbenzoate
CID 43730612
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
N-[2-(dimethylamino)propyl]-4-(ethylamino)-3-methylbenzamide
CID 63213540
N-ethyl-3-methyl-4-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119714183
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
N-(2,6-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63210459
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 63210632
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 55163644) is 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is CCNc1ccc(C(=O)NCC(=O)NC)cc1C.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is WMBRQMDVBFJKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-15-11-6-5-10(7-9(11)2)13(18)16-8-12(17)14-3/h5-7,15H,4,8H2,1-3H3,(H,14,17)(H,16,18).
What are the key properties of 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide?
4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55163644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).