2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

C19H24N4O2 — CID 138509131

IUPAC2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2cc(C)cc(C)c2N)cc1
InChIInChI=1S/C19H24N4O2/c1-12-4-6-15(7-5-12)10-22-17(24)11-23(21)19(25)16-9-13(2)8-14(3)18(16)20/h4-9H,10-11,20-21H2,1-3H3,(H,22,24)
InChIKeyLYVDSDNUHRBCHV-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.83
Rot. Bonds5

About 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 138509131) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID138509131
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2cc(C)cc(C)c2N)cc1
InChIInChI=1S/C19H24N4O2/c1-12-4-6-15(7-5-12)10-22-17(24)11-23(21)19(25)16-9-13(2)8-14(3)18(16)20/h4-9H,10-11,20-21H2,1-3H3,(H,22,24)
InChIKeyLYVDSDNUHRBCHV-UHFFFAOYSA-N
XLogP1.83
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509218
2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509170
2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509078
N-[(4-methylphenyl)methyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30263870
2-[amino-(2-aminobenzoyl)amino]-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 138509132
2-[amino-(2-amino-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509079
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472867
2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28561338
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
2-(N-acetyl-3-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113172188
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51342973

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 138509131) is 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(N)C(=O)c2cc(C)cc(C)c2N)cc1.
What is the InChIKey of 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is LYVDSDNUHRBCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-4-6-15(7-5-12)10-22-17(24)11-23(21)19(25)16-9-13(2)8-14(3)18(16)20/h4-9H,10-11,20-21H2,1-3H3,(H,22,24).
What are the key properties of 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 138509131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).