N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide

C23H33INOP — CID 164678425

IUPACN-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](CP(C)(I)(c1ccccc1)c1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C23H33INOP/c1-18(2)21(25-22(26)23(3,4)5)17-27(6,24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3,(H,25,26)/t21-/m1/s1
InChIKeyGWBVLUZPZJONIR-OAQYLSRUSA-N
MW497.40 g/mol
LogP5.36
Rot. Bonds6

About N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide

N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 164678425) has the molecular formula C23H33INOP and a molecular weight of 497.40 g/mol. Its IUPAC name is N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide
PubChem CID164678425
Molecular FormulaC23H33INOP
Molecular Weight497.40 g/mol
Exact Mass497.13
IUPAC NameN-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](CP(C)(I)(c1ccccc1)c1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C23H33INOP/c1-18(2)21(25-22(26)23(3,4)5)17-27(6,24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3,(H,25,26)/t21-/m1/s1
InChIKeyGWBVLUZPZJONIR-OAQYLSRUSA-N
XLogP5.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
N-[(2S,3S)-1-[bromo(triphenyl)-lambda5-phosphanyl]-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
CID 164677143
[(2S,3S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentyl]-triphenylphosphanium bromide
CID 176425127
Triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 74081310
(2R)-(2-trifluoroacetamidopropyl)triphenylphosphonium iodide
CID 86661754
2,2,2-trifluoro-N-[(2R)-1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-yl]acetamide
CID 141617680
2,2,2-trifluoro-N-[1-[iodo(triphenyl)-lambda5-phosphanyl]propan-2-yl]acetamide
CID 141627144
(5S)-5-(diphenylphosphanylmethyl)-3,3-dimethylpyrrolidin-2-one
CID 15416363
1-(2,2-Dimethylpropanoylamino)ethyl-triphenylphosphanium
CID 46933855
[(4E,6E)-8-(2-methylpropylamino)-8-oxoocta-4,6-dienyl]-triphenylphosphanium
CID 134844284
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]acetamide
CID 135022195
tert-butyl N-[(2R)-1-[[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 146168799

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide (CID 164678425) is N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide is CC(C)[C@@H](CP(C)(I)(c1ccccc1)c1ccccc1)NC(=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is GWBVLUZPZJONIR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H33INOP/c1-18(2)21(25-22(26)23(3,4)5)17-27(6,24,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21H,17H2,1-6H3,(H,25,26)/t21-/m1/s1.
What are the key properties of N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide?
N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 497.40 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(iodo-methyl-diphenyl-λ5-phosphanyl)-3-methylbutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 164678425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).