N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide

C15H22N4O3 — CID 78825883

IUPACN-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(C)CC(=O)NC)c1
InChIInChI=1S/C15H22N4O3/c1-4-17-15(22)11-6-5-7-12(8-11)18-14(21)10-19(3)9-13(20)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,20)(H,17,22)(H,18,21)
InChIKeySECHCEXTYOQVIN-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.05
Rot. Bonds7

About N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide

N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide (PubChem CID 78825883) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
PubChem CID78825883
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN(C)CC(=O)NC)c1
InChIInChI=1S/C15H22N4O3/c1-4-17-15(22)11-6-5-7-12(8-11)18-14(21)10-19(3)9-13(20)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,20)(H,17,22)(H,18,21)
InChIKeySECHCEXTYOQVIN-UHFFFAOYSA-N
XLogP0.05
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8695112
3-acetamido-N-ethylbenzamide
CID 17230670
3-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-methylbenzamide
CID 8843971
3-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8694848
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
N-ethyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54837724
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
N-ethyl-3-[[2-(prop-2-ynylamino)acetyl]amino]benzamide
CID 78912963
3-[[2-[benzhydryl(3-hydroxypropyl)amino]acetyl]amino]-N-ethylbenzamide
CID 56514414

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide (CID 78825883) is N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide is CCNC(=O)c1cccc(NC(=O)CN(C)CC(=O)NC)c1.
What is the InChIKey of N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
The InChIKey is SECHCEXTYOQVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-4-17-15(22)11-6-5-7-12(8-11)18-14(21)10-19(3)9-13(20)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,20)(H,17,22)(H,18,21).
What are the key properties of N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide?
N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide has a molecular weight of 306.37 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 78825883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).