3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C14H19N3O3 — CID 32559240

IUPAC3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H19N3O3/c1-9-4-5-11(6-10(9)2)14(20)17-8-13(19)16-7-12(18)15-3/h4-6H,7-8H2,1-3H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyRYYJIFQTNLPOOS-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.10
Rot. Bonds5

About 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 32559240) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID32559240
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H19N3O3/c1-9-4-5-11(6-10(9)2)14(20)17-8-13(19)16-7-12(18)15-3/h4-6H,7-8H2,1-3H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyRYYJIFQTNLPOOS-UHFFFAOYSA-N
XLogP-0.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55163644
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18160821
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
N-[2-(3-butoxypropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27682949
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
4-[[2-(methylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 43414345
3,4-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 18106925
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120534617
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 32559240) is 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is CNC(=O)CNC(=O)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is RYYJIFQTNLPOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-5-11(6-10(9)2)14(20)17-8-13(19)16-7-12(18)15-3/h4-6H,7-8H2,1-3H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 277.32 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 32559240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).