N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide

C29H26N4O2 — CID 59110621

IUPACN-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C(C(=O)NCc2ccccc2-c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26N4O2/c30-27(31)22-15-17-24(18-16-22)33-29(35)26(21-11-5-2-6-12-21)28(34)32-19-23-13-7-8-14-25(23)20-9-3-1-4-10-20/h1-18,26H,19H2,(H3,30,31)(H,32,34)(H,33,35)
InChIKeyVWLODPUIQGRTFW-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.68
Rot. Bonds8

About N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide

N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide (PubChem CID 59110621) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide
PubChem CID59110621
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC NameN-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C(C(=O)NCc2ccccc2-c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H26N4O2/c30-27(31)22-15-17-24(18-16-22)33-29(35)26(21-11-5-2-6-12-21)28(34)32-19-23-13-7-8-14-25(23)20-9-3-1-4-10-20/h1-18,26H,19H2,(H3,30,31)(H,32,34)(H,33,35)
InChIKeyVWLODPUIQGRTFW-UHFFFAOYSA-N
XLogP4.68
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.68
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)-2-phenyl-N'-[(2-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
N-(4-carbamimidoylphenyl)-N'-[(3-nitrophenyl)methyl]-2-phenylpropanediamide;formic acid
CID 162119331
N-(4-carbamimidoylphenyl)-N'-(2,3-dihydro-1H-inden-2-yl)-2-phenylpropanediamide
CID 59110614
N-(4-carbamimidoylphenyl)-2-[2-(3-carbamimidoylphenyl)phenyl]acetamide
CID 87951181
N-(4-carbamimidoylphenyl)-2-phenyl-N'-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylmethyl)propanediamide
CID 142132970
N-(4-carbamimidoylphenyl)-N'-[(2-chloro-6-phenoxyphenyl)methyl]-2-phenylpropanediamide;formic acid
CID 162107010
N-[(4-carbamimidoylphenyl)methyl]-2-phenylbenzamide
CID 73051218
(2-phenylphenyl)methylurea
CID 67020414
N-(4-carbamimidoylphenyl)-2-phenyl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanediamide
CID 59110644
methyl 2-[2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]phenyl]acetate
CID 22625993
2-[(2-acetamidoacetyl)amino]-N-(4-carbamimidoylphenyl)-3-(4-phenylphenyl)propanamide
CID 143157334
2-(4-carbamimidoylanilino)-2-(3-ethyl-4-phenylphenyl)acetate;hydrochloride
CID 22038922

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide?
The IUPAC name of N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide (CID 59110621) is N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide is [H]/N=C(\N)c1ccc(NC(=O)C(C(=O)NCc2ccccc2-c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide?
The InChIKey is VWLODPUIQGRTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c30-27(31)22-15-17-24(18-16-22)33-29(35)26(21-11-5-2-6-12-21)28(34)32-19-23-13-7-8-14-25(23)20-9-3-1-4-10-20/h1-18,26H,19H2,(H3,30,31)(H,32,34)(H,33,35).
What are the key properties of N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide?
N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide has a molecular weight of 462.55 g/mol, XLogP of 4.68, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)-2-phenyl-N'-[(2-phenylphenyl)methyl]propanediamide is sourced from PubChem (CID 59110621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).