4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide

C12H17N3O2 — CID 119332625

IUPAC4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
SMILESCc1cc(NC(=O)CN)ccc1C(=O)N(C)C
InChIInChI=1S/C12H17N3O2/c1-8-6-9(14-11(16)7-13)4-5-10(8)12(17)15(2)3/h4-6H,7,13H2,1-3H3,(H,14,16)
InChIKeyNEUSBYRNORKRBT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.59
Rot. Bonds3

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

4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide (PubChem CID 119332625) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
PubChem CID119332625
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide
SMILESCc1cc(NC(=O)CN)ccc1C(=O)N(C)C
InChIInChI=1S/C12H17N3O2/c1-8-6-9(14-11(16)7-13)4-5-10(8)12(17)15(2)3/h4-6H,7,13H2,1-3H3,(H,14,16)
InChIKeyNEUSBYRNORKRBT-UHFFFAOYSA-N
XLogP0.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
CID 119332645
4-acetamido-N,N,2-trimethylbenzamide
CID 21338871
4-(4-aminopentanoylamino)-N,N,2-trimethylbenzamide
CID 120563222
5-[4-(dimethylcarbamoyl)-3-methylanilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137875
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
5-[(2-chloroacetyl)amino]-N,N,2-trimethylbenzamide
CID 166403824
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
CID 146654172
N,N,2-trimethyl-4-[[2-(2-methylpropyl)benzoyl]amino]benzamide
CID 119047666

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide (CID 119332625) is 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide is Cc1cc(NC(=O)CN)ccc1C(=O)N(C)C.
What is the InChIKey of 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide?
The InChIKey is NEUSBYRNORKRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-6-9(14-11(16)7-13)4-5-10(8)12(17)15(2)3/h4-6H,7,13H2,1-3H3,(H,14,16).
What are the key properties of 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide?
4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide has a molecular weight of 235.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminoacetyl)amino]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 119332625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).