2-amino-N-(3-amino-4-methylphenyl)acetamide

C9H13N3O — CID 146654157

IUPAC2-amino-N-(3-amino-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN)cc1N
InChIInChI=1S/C9H13N3O/c1-6-2-3-7(4-8(6)11)12-9(13)5-10/h2-4H,5,10-11H2,1H3,(H,12,13)
InChIKeyPMPCMDPBAFLGLC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.47
Rot. Bonds2

About 2-amino-N-(3-amino-4-methylphenyl)acetamide

2-amino-N-(3-amino-4-methylphenyl)acetamide (PubChem CID 146654157) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-N-(3-amino-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-4-methylphenyl)acetamide
PubChem CID146654157
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-amino-N-(3-amino-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN)cc1N
InChIInChI=1S/C9H13N3O/c1-6-2-3-7(4-8(6)11)12-9(13)5-10/h2-4H,5,10-11H2,1H3,(H,12,13)
InChIKeyPMPCMDPBAFLGLC-UHFFFAOYSA-N
XLogP0.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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

N-(3-amino-4-methylphenyl)-4-methylpentanamide
CID 28776905
N-(3-amino-4-methylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62057767
2-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 114231285
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302
2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
CID 146654172
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
N-(3-amino-4-methylphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399667
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929
N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 107770544
N-(3-amino-4-methylphenyl)-2-(4-methylpentan-2-yloxy)acetamide
CID 43376679

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(3-amino-4-methylphenyl)acetamide (CID 146654157) is 2-amino-N-(3-amino-4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(3-amino-4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(3-amino-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN)cc1N.
What is the InChIKey of 2-amino-N-(3-amino-4-methylphenyl)acetamide?
The InChIKey is PMPCMDPBAFLGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-2-3-7(4-8(6)11)12-9(13)5-10/h2-4H,5,10-11H2,1H3,(H,12,13).
What are the key properties of 2-amino-N-(3-amino-4-methylphenyl)acetamide?
2-amino-N-(3-amino-4-methylphenyl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-4-methylphenyl)acetamide is sourced from PubChem (CID 146654157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).