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

C11H16N4O2 — CID 114041266

IUPAC2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide
SMILESCc1cccc(N(CC(N)=O)CC(N)=O)c1N
InChIInChI=1S/C11H16N4O2/c1-7-3-2-4-8(11(7)14)15(5-9(12)16)6-10(13)17/h2-4H,5-6,14H2,1H3,(H2,12,16)(H2,13,17)
InChIKeyVYNVSYWPIJSLJS-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.65
Rot. Bonds5

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

2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide (PubChem CID 114041266) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide
PubChem CID114041266
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide
SMILESCc1cccc(N(CC(N)=O)CC(N)=O)c1N
InChIInChI=1S/C11H16N4O2/c1-7-3-2-4-8(11(7)14)15(5-9(12)16)6-10(13)17/h2-4H,5-6,14H2,1H3,(H2,12,16)(H2,13,17)
InChIKeyVYNVSYWPIJSLJS-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'}

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Related Compounds

2-(3-amino-N-(2-amino-2-oxoethyl)-2-methylanilino)acetamide
CID 63061902
methyl 2-amino-3-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 115545965
ethyl 2-amino-3-[(2-amino-2-oxoethyl)-butylamino]benzoate
CID 115545550
2-[(2-amino-2-oxoethyl)-(2-amino-3-pyridinyl)amino]acetamide
CID 104540322
2-(2-amino-N,3-dimethylanilino)-N-propan-2-ylacetamide
CID 114041230
2-[N-(2-amino-2-oxoethyl)-2-(hydroxymethyl)anilino]acetamide
CID 62923312
2-[N-(2-amino-2-oxoethyl)-2-[(tert-butylamino)methyl]anilino]acetamide
CID 63072276
2-amino-3-methylbenzoic acid;azane
CID 69400013
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
1,1-bis(2-methylphenyl)urea
CID 3049256
ethyl 5-amino-2-[bis(2-amino-2-oxoethyl)amino]benzoate
CID 62921611
2-[(5-aminoisoquinolin-6-yl)-(2-amino-2-oxoethyl)amino]acetamide
CID 106948039

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide?
The IUPAC name of 2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide (CID 114041266) is 2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide.
What is the SMILES notation for 2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide?
The canonical SMILES for 2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide is Cc1cccc(N(CC(N)=O)CC(N)=O)c1N.
What is the InChIKey of 2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide?
The InChIKey is VYNVSYWPIJSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-3-2-4-8(11(7)14)15(5-9(12)16)6-10(13)17/h2-4H,5-6,14H2,1H3,(H2,12,16)(H2,13,17).
What are the key properties of 2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide?
2-(2-amino-N-(2-amino-2-oxoethyl)-3-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-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide is sourced from PubChem (CID 114041266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).