2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide

C22H22N4O — CID 100967758

IUPAC2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide
SMILESCc1ccc(/N=C(\Nc2ccccc2)Nc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C22H22N4O/c1-16-7-11-19(12-8-16)25-22(24-18-5-3-2-4-6-18)26-20-13-9-17(10-14-20)15-21(23)27/h2-14H,15H2,1H3,(H2,23,27)(H2,24,25,26)
InChIKeyVDSQXJVJWLVKQV-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.23
Rot. Bonds5

About 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide

2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide (PubChem CID 100967758) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide
PubChem CID100967758
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide
SMILESCc1ccc(/N=C(\Nc2ccccc2)Nc2ccc(CC(N)=O)cc2)cc1
InChIInChI=1S/C22H22N4O/c1-16-7-11-19(12-8-16)25-22(24-18-5-3-2-4-6-18)26-20-13-9-17(10-14-20)15-21(23)27/h2-14H,15H2,1H3,(H2,23,27)(H2,24,25,26)
InChIKeyVDSQXJVJWLVKQV-UHFFFAOYSA-N
XLogP4.23
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
1-(4-methylphenyl)-2-(4-nitrophenyl)-3-phenylguanidine
CID 136768349
2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide
CID 100967764
(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
2-[4-(dimethylcarbamoylamino)phenyl]acetamide
CID 47203177
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
[N'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamate
CID 68500642

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide (CID 100967758) is 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide is Cc1ccc(/N=C(\Nc2ccccc2)Nc2ccc(CC(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide?
The InChIKey is VDSQXJVJWLVKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-7-11-19(12-8-16)25-22(24-18-5-3-2-4-6-18)26-20-13-9-17(10-14-20)15-21(23)27/h2-14H,15H2,1H3,(H2,23,27)(H2,24,25,26).
What are the key properties of 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide?
2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide is sourced from PubChem (CID 100967758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).