methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate

C23H24NO3P — CID 101093599

IUPACmethyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(c1ccccc1)(c1ccccc1)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C23H24NO3P/c1-18(22(25)19-12-6-3-7-13-19)28(24-23(26)27-2,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25H,1-2H3/t18-,22-/m0/s1
InChIKeyIVYKXQIGSDQHEW-AVRDEDQJSA-N
MW393.42 g/mol
LogP4.73
Rot. Bonds5

About methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate

methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate (PubChem CID 101093599) has the molecular formula C23H24NO3P and a molecular weight of 393.42 g/mol. Its IUPAC name is methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate
PubChem CID101093599
Molecular FormulaC23H24NO3P
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Namemethyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate
SMILESCOC(=O)N=P(c1ccccc1)(c1ccccc1)[C@@H](C)[C@H](O)c1ccccc1
InChIInChI=1S/C23H24NO3P/c1-18(22(25)19-12-6-3-7-13-19)28(24-23(26)27-2,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25H,1-2H3/t18-,22-/m0/s1
InChIKeyIVYKXQIGSDQHEW-AVRDEDQJSA-N
XLogP4.73
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-2-[diphenyl(phenylimino)-λ5-phosphanyl]-1-phenylpropan-1-ol
CID 101362982
lithium 2-[methoxycarbonylimino(diphenyl)-λ5-phosphanyl]-1,2-diphenylethanolate
CID 101070218
(1S,2S)-2-diphenylphosphoryl-1-(4-methoxyphenyl)propan-1-ol
CID 13152614
dimethyl (2S)-2-[(1R)-1-[methoxycarbonylimino(diphenyl)-λ5-phosphanyl]propyl]butanedioate
CID 101093596
methyl N-[(2-iodophenyl)-phenyl-(propan-2-ylamino)-λ5-phosphanylidene]carbamate
CID 135065000
(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
CID 102439539
methyl (2S,3S)-2-[(R)-hydroxy(phenyl)methyl]-3-phenylbutanoate
CID 101428067
methyl N-[phenyl-(propan-2-ylamino)-(2-prop-2-enylphenyl)-λ5-phosphanylidene]carbamate
CID 135065504
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
methyl (2R)-5-bromo-2-[(R)-hydroxy(phenyl)methyl]pentanoate
CID 177493381
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
methyl 2-[hydroxy(phenyl)methyl]-3-oxobutanoate
CID 102026591

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate?
The IUPAC name of methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate (CID 101093599) is methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate.
What is the SMILES notation for methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate?
The canonical SMILES for methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate is COC(=O)N=P(c1ccccc1)(c1ccccc1)[C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate?
The InChIKey is IVYKXQIGSDQHEW-AVRDEDQJSA-N. The full InChI is InChI=1S/C23H24NO3P/c1-18(22(25)19-12-6-3-7-13-19)28(24-23(26)27-2,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18,22,25H,1-2H3/t18-,22-/m0/s1.
What are the key properties of methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate?
methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate has a molecular weight of 393.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-diphenyl-λ5-phosphanylidene]carbamate is sourced from PubChem (CID 101093599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).