2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

C18H22N4O2 — CID 138509078

IUPAC2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C18H22N4O2/c1-12-6-8-14(9-7-12)10-21-16(23)11-22(20)18(24)17-13(2)4-3-5-15(17)19/h3-9H,10-11,19-20H2,1-2H3,(H,21,23)
InChIKeyLZGUJJOIWQPFNS-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.52
Rot. Bonds5

About 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide

2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 138509078) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID138509078
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(N)C(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C18H22N4O2/c1-12-6-8-14(9-7-12)10-21-16(23)11-22(20)18(24)17-13(2)4-3-5-15(17)19/h3-9H,10-11,19-20H2,1-2H3,(H,21,23)
InChIKeyLZGUJJOIWQPFNS-UHFFFAOYSA-N
XLogP1.52
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.52
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-6-fluorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509079
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-[amino-(2-amino-3-chlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509170
2-[amino-(2-amino-3,5-dimethylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509131
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 51342973
2-[amino-(2-amino-3,5-dichlorobenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 138509218
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
2-[amino-(2-aminobenzoyl)amino]-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 138509132
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide (CID 138509078) is 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(N)C(=O)c2c(C)cccc2N)cc1.
What is the InChIKey of 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is LZGUJJOIWQPFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-6-8-14(9-7-12)10-21-16(23)11-22(20)18(24)17-13(2)4-3-5-15(17)19/h3-9H,10-11,19-20H2,1-2H3,(H,21,23).
What are the key properties of 2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[amino-(2-amino-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.52, 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-6-methylbenzoyl)amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 138509078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).