2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide

C11H16N4O2 — CID 63061902

IUPAC2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide
SMILESCc1c(N)cccc1N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H16N4O2/c1-7-8(12)3-2-4-9(7)15(5-10(13)16)6-11(14)17/h2-4H,5-6,12H2,1H3,(H2,13,16)(H2,14,17)
InChIKeyRGWREZUJDVWIFJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.65
Rot. Bonds5

About 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide

2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide (PubChem CID 63061902) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide.

Molecular Properties

Compound Name2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide
PubChem CID63061902
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide
SMILESCc1c(N)cccc1N(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H16N4O2/c1-7-8(12)3-2-4-9(7)15(5-10(13)16)6-11(14)17/h2-4H,5-6,12H2,1H3,(H2,13,16)(H2,14,17)
InChIKeyRGWREZUJDVWIFJ-UHFFFAOYSA-N
XLogP-0.65
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide
CID 114041266
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbenzamide
CID 103100884
methyl 2-amino-3-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 115545965
2-[(2-amino-2-oxoethyl)-(2-amino-3-pyridinyl)amino]acetamide
CID 104540322
3-amino-2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzamide
CID 112578601
2-[(3-amino-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101019
2-[N-(2-amino-2-oxoethyl)-2-(hydroxymethyl)anilino]acetamide
CID 62923312
3-amino-2-[(2-amino-2-oxoethyl)-butylamino]benzoic acid
CID 112578598
methyl 3-amino-2-[(2-amino-2-oxoethyl)-ethylamino]benzoate
CID 103103931
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
3-N-ethyl-3-N-(2-ethylbutyl)-2-methylbenzene-1,3-diamine
CID 63076761
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
CID 102991274

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide?
The IUPAC name of 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide (CID 63061902) is 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide.
What is the SMILES notation for 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide?
The canonical SMILES for 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide is Cc1c(N)cccc1N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide?
The InChIKey is RGWREZUJDVWIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-8(12)3-2-4-9(7)15(5-10(13)16)6-11(14)17/h2-4H,5-6,12H2,1H3,(H2,13,16)(H2,14,17).
What are the key properties of 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide?
2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide has a molecular weight of 236.27 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide is sourced from PubChem (CID 63061902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).