N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide

C23H22N4O2 — CID 59110661

IUPACN'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)CC(=O)NCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H22N4O2/c24-23(25)18-9-11-20(12-10-18)27-22(29)14-21(28)26-15-16-5-4-8-19(13-16)17-6-2-1-3-7-17/h1-13H,14-15H2,(H3,24,25)(H,26,28)(H,27,29)
InChIKeyXJCHYXIQNZQJQD-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.28
Rot. Bonds7

About N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide

N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide (PubChem CID 59110661) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
PubChem CID59110661
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)CC(=O)NCc2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H22N4O2/c24-23(25)18-9-11-20(12-10-18)27-22(29)14-21(28)26-15-16-5-4-8-19(13-16)17-6-2-1-3-7-17/h1-13H,14-15H2,(H3,24,25)(H,26,28)(H,27,29)
InChIKeyXJCHYXIQNZQJQD-UHFFFAOYSA-N
XLogP3.28
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide 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

N'-(4-carbamimidoylphenyl)-N-[(2-phenylphenyl)methyl]propanediamide
CID 59110671
2-(5-carbamimidoyl-1H-indol-3-yl)-N-(4-phenylphenyl)acetamide
CID 18800618
N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
CID 87951181
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
2-[(2-acetamidoacetyl)amino]-N-(4-carbamimidoylphenyl)-3-(4-phenylphenyl)propanamide
CID 143157334
(2S)-2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 57134661
N-(4-carbamimidoylphenyl)-N'-[(3-nitrophenyl)methyl]-2-phenylpropanediamide;formic acid
CID 162119331
N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
CID 15954191
N,N'-bis(4-carbamimidoylphenyl)dodecanediamide
CID 46883527
benzyl 3-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate
CID 22626543

Frequently Asked Questions

What is the IUPAC name of N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide?
The IUPAC name of N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide (CID 59110661) is N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide is [H]/N=C(\N)c1ccc(NC(=O)CC(=O)NCc2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide?
The InChIKey is XJCHYXIQNZQJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c24-23(25)18-9-11-20(12-10-18)27-22(29)14-21(28)26-15-16-5-4-8-19(13-16)17-6-2-1-3-7-17/h1-13H,14-15H2,(H3,24,25)(H,26,28)(H,27,29).
What are the key properties of N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide?
N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide has a molecular weight of 386.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-carbamimidoylphenyl)-N-[(3-phenylphenyl)methyl]propanediamide is sourced from PubChem (CID 59110661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).