3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide

C11H15N3O2 — CID 43711940

IUPAC3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)CN)c1
InChIInChI=1S/C11H15N3O2/c1-7-3-4-8(11(16)13-2)5-9(7)14-10(15)6-12/h3-5H,6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOVOYORMBUASUSQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.25
Rot. Bonds3

About 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide

3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide (PubChem CID 43711940) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
PubChem CID43711940
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC(=O)CN)c1
InChIInChI=1S/C11H15N3O2/c1-7-3-4-8(11(16)13-2)5-9(7)14-10(15)6-12/h3-5H,6,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyOVOYORMBUASUSQ-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60941385
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 79285015
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
CID 112738727
3-[[2-(2-chlorophenyl)acetyl]amino]-N,4-dimethylbenzamide
CID 39132668
3-benzamido-N,4-dimethylbenzamide
CID 17226324
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N,4-dimethylbenzamide
CID 61179907
1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 34354093

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide?
The IUPAC name of 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide (CID 43711940) is 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC(=O)CN)c1.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide?
The InChIKey is OVOYORMBUASUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-3-4-8(11(16)13-2)5-9(7)14-10(15)6-12/h3-5H,6,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide?
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide has a molecular weight of 221.26 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide is sourced from PubChem (CID 43711940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).