N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide

C22H22N4O — CID 155564229

IUPACN-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide
SMILES[H]/N=C(\N)c1ccc(NC(C(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N4O/c23-21(24)18-11-13-19(14-12-18)26-20(17-9-5-2-6-10-17)22(27)25-15-16-7-3-1-4-8-16/h1-14,20,26H,15H2,(H3,23,24)(H,25,27)
InChIKeyUKECQOMHZOYYSM-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.44
Rot. Bonds7

About N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide

N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide (PubChem CID 155564229) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide
PubChem CID155564229
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide
SMILES[H]/N=C(\N)c1ccc(NC(C(=O)NCc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H22N4O/c23-21(24)18-11-13-19(14-12-18)26-20(17-9-5-2-6-10-17)22(27)25-15-16-7-3-1-4-8-16/h1-14,20,26H,15H2,(H3,23,24)(H,25,27)
InChIKeyUKECQOMHZOYYSM-UHFFFAOYSA-N
XLogP3.44
TPSA91.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.44
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide?
The IUPAC name of N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide (CID 155564229) is N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide?
The canonical SMILES for N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide is [H]/N=C(\N)c1ccc(NC(C(=O)NCc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide?
The InChIKey is UKECQOMHZOYYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-21(24)18-11-13-19(14-12-18)26-20(17-9-5-2-6-10-17)22(27)25-15-16-7-3-1-4-8-16/h1-14,20,26H,15H2,(H3,23,24)(H,25,27).
What are the key properties of N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide?
N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide has a molecular weight of 358.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-carbamimidoylanilino)-2-phenylacetamide is sourced from PubChem (CID 155564229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).