N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide

C30H29N2O2P — CID 11248631

IUPACN-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N2O2P/c1-23(2)28(31-30(33)25-17-9-4-10-18-25)29(24-15-7-3-8-16-24)32-35(34,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3,(H,31,33)/b32-29-/t28-/m0/s1
InChIKeyDREDEDVVMNZIGT-VFBHOIQISA-N
MW480.55 g/mol
LogP5.86
Rot. Bonds8

About N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide

N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide (PubChem CID 11248631) has the molecular formula C30H29N2O2P and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide
PubChem CID11248631
Molecular FormulaC30H29N2O2P
Molecular Weight480.55 g/mol
Exact Mass480.20
IUPAC NameN-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29N2O2P/c1-23(2)28(31-30(33)25-17-9-4-10-18-25)29(24-15-7-3-8-16-24)32-35(34,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3,(H,31,33)/b32-29-/t28-/m0/s1
InChIKeyDREDEDVVMNZIGT-VFBHOIQISA-N
XLogP5.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.55
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1Z,2S)-1-diphenylphosphorylimino-1-(4-fluorophenyl)-3-methylbutan-2-yl]carbamate
CID 11340884
tert-butyl N-[(2S)-1-diphenylphosphorylimino-1-phenylpropan-2-yl]carbamate
CID 23232898
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
N-[(2S)-1-(2-benzylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 129360194
N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide
CID 20846178
N-[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970702
N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 109479000
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701
benzyl (2S)-2-benzamido-3-methylbutanoate
CID 689908
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide?
The IUPAC name of N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide (CID 11248631) is N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1)/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide?
The InChIKey is DREDEDVVMNZIGT-VFBHOIQISA-N. The full InChI is InChI=1S/C30H29N2O2P/c1-23(2)28(31-30(33)25-17-9-4-10-18-25)29(24-15-7-3-8-16-24)32-35(34,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3,(H,31,33)/b32-29-/t28-/m0/s1.
What are the key properties of N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide?
N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide has a molecular weight of 480.55 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,2S)-1-diphenylphosphorylimino-3-methyl-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 11248631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).