2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide

C23H24N4O — CID 59050345

IUPAC2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide
SMILES[H]/N=C(\N)c1cccc(N(C)CC(=O)Nc2ccc(-c3ccccc3C)cc2)c1
InChIInChI=1S/C23H24N4O/c1-16-6-3-4-9-21(16)17-10-12-19(13-11-17)26-22(28)15-27(2)20-8-5-7-18(14-20)23(24)25/h3-14H,15H2,1-2H3,(H3,24,25)(H,26,28)
InChIKeyBVMRWKQXFRVLNL-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide

2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide (PubChem CID 59050345) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide
PubChem CID59050345
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide
SMILES[H]/N=C(\N)c1cccc(N(C)CC(=O)Nc2ccc(-c3ccccc3C)cc2)c1
InChIInChI=1S/C23H24N4O/c1-16-6-3-4-9-21(16)17-10-12-19(13-11-17)26-22(28)15-27(2)20-8-5-7-18(14-20)23(24)25/h3-14H,15H2,1-2H3,(H3,24,25)(H,26,28)
InChIKeyBVMRWKQXFRVLNL-UHFFFAOYSA-N
XLogP4.02
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
CID 87951181
methyl 2-[3-(3-carbamimidoylphenyl)-5-[[4-(2-methylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate
CID 11801427
2-[3-carbamimidoyl-N-(2-methylpropyl)anilino]-N-(4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 70278216
3-[methyl(propyl)amino]benzenecarboximidamide
CID 62970999
3-[2-fluoroethyl(methyl)amino]benzenecarboximidamide
CID 80696188
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
2-[3-carbamimidoyl-N-(3-methylbut-2-enyl)anilino]-N-(4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 70275982
(3S)-3-(3-carbamimidoylanilino)-4-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pentanamide
CID 151802452
2-[3-carbamimidoyl-N-[(3-hydroxyphenyl)methyl]anilino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 70279859
2-(3-amino-N-methylanilino)-N-(2-methylphenyl)acetamide
CID 61297509
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide?
The IUPAC name of 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide (CID 59050345) is 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide?
The canonical SMILES for 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide is [H]/N=C(\N)c1cccc(N(C)CC(=O)Nc2ccc(-c3ccccc3C)cc2)c1.
What is the InChIKey of 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide?
The InChIKey is BVMRWKQXFRVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-6-3-4-9-21(16)17-10-12-19(13-11-17)26-22(28)15-27(2)20-8-5-7-18(14-20)23(24)25/h3-14H,15H2,1-2H3,(H3,24,25)(H,26,28).
What are the key properties of 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide?
2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoyl-N-methylanilino)-N-[4-(2-methylphenyl)phenyl]acetamide is sourced from PubChem (CID 59050345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).