N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide

C34H29N2O2P — CID 176914678

IUPACN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H29N2O2P/c1-25-21-23-27(24-22-25)35-33(37)34(38)36-32(26-13-5-2-6-14-26)30-19-11-12-20-31(30)39(28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24,32H,1H3,(H,35,37)(H,36,38)/t32-/m1/s1
InChIKeyIGSOPUBLCSPMFO-JGCGQSQUSA-N
MW528.59 g/mol
LogP5.60
Rot. Bonds7

About N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide

N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide (PubChem CID 176914678) has the molecular formula C34H29N2O2P and a molecular weight of 528.59 g/mol. Its IUPAC name is N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide
PubChem CID176914678
Molecular FormulaC34H29N2O2P
Molecular Weight528.59 g/mol
Exact Mass528.20
IUPAC NameN'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H29N2O2P/c1-25-21-23-27(24-22-25)35-33(37)34(38)36-32(26-13-5-2-6-14-26)30-19-11-12-20-31(30)39(28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24,32H,1H3,(H,35,37)(H,36,38)/t32-/m1/s1
InChIKeyIGSOPUBLCSPMFO-JGCGQSQUSA-N
XLogP5.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.59
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 176914684
N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 176914691
N'-benzhydryl-N-(4-hydroxyphenyl)oxamide
CID 108501977
methyl (2S)-2-[[(1S)-1-(2-diphenylphosphanylphenyl)-2-(4-methylanilino)-2-oxoethyl]amino]-3-methylbutanoate
CID 98091048
N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
CID 108507971
N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
CID 108508123
N-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 154703010
N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
CID 86856671
N-[4-[[(4-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 78686932
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-[4-(benzhydrylcarbamoylamino)phenyl]acetamide
CID 108867378

Frequently Asked Questions

What is the IUPAC name of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide (CID 176914678) is N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide?
The InChIKey is IGSOPUBLCSPMFO-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H29N2O2P/c1-25-21-23-27(24-22-25)35-33(37)34(38)36-32(26-13-5-2-6-14-26)30-19-11-12-20-31(30)39(28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24,32H,1H3,(H,35,37)(H,36,38)/t32-/m1/s1.
What are the key properties of N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide?
N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide has a molecular weight of 528.59 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(R)-(2-diphenylphosphanylphenyl)-phenylmethyl]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 176914678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).