2-(2-amino-4-methylanilino)acetamide

C9H13N3O — CID 43349420

IUPAC2-(2-amino-4-methylanilino)acetamide
SMILESCc1ccc(NCC(N)=O)c(N)c1
InChIInChI=1S/C9H13N3O/c1-6-2-3-8(7(10)4-6)12-5-9(11)13/h2-4,12H,5,10H2,1H3,(H2,11,13)
InChIKeyOGNAIJUUMFETPQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.47
Rot. Bonds3

About 2-(2-amino-4-methylanilino)acetamide

2-(2-amino-4-methylanilino)acetamide (PubChem CID 43349420) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2-amino-4-methylanilino)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylanilino)acetamide
PubChem CID43349420
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(2-amino-4-methylanilino)acetamide
SMILESCc1ccc(NCC(N)=O)c(N)c1
InChIInChI=1S/C9H13N3O/c1-6-2-3-8(7(10)4-6)12-5-9(11)13/h2-4,12H,5,10H2,1H3,(H2,11,13)
InChIKeyOGNAIJUUMFETPQ-UHFFFAOYSA-N
XLogP0.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
CID 18802501
3-amino-4-[(2-amino-2-oxoethyl)amino]benzamide
CID 43448331
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
1-N-[(2-ethylphenyl)methyl]-4-methylbenzene-1,2-diamine
CID 64682149
4-(2-amino-4-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140671
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylanilino)acetamide?
The IUPAC name of 2-(2-amino-4-methylanilino)acetamide (CID 43349420) is 2-(2-amino-4-methylanilino)acetamide.
What is the SMILES notation for 2-(2-amino-4-methylanilino)acetamide?
The canonical SMILES for 2-(2-amino-4-methylanilino)acetamide is Cc1ccc(NCC(N)=O)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylanilino)acetamide?
The InChIKey is OGNAIJUUMFETPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-2-3-8(7(10)4-6)12-5-9(11)13/h2-4,12H,5,10H2,1H3,(H2,11,13).
What are the key properties of 2-(2-amino-4-methylanilino)acetamide?
2-(2-amino-4-methylanilino)acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylanilino)acetamide is sourced from PubChem (CID 43349420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).