2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide

C26H30NO2P — CID 135077215

IUPAC2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30NO2P/c1-26(2,3)24(19-28)27-25(29)18-20-12-10-11-17-23(20)30(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-17,24,28H,18-19H2,1-3H3,(H,27,29)/t24-/m1/s1
InChIKeyZUKQEZVGHPDZHH-XMMPIXPASA-N
MW419.51 g/mol
LogP3.51
Rot. Bonds7

About 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide

2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide (PubChem CID 135077215) has the molecular formula C26H30NO2P and a molecular weight of 419.51 g/mol. Its IUPAC name is 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide
PubChem CID135077215
Molecular FormulaC26H30NO2P
Molecular Weight419.51 g/mol
Exact Mass419.20
IUPAC Name2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30NO2P/c1-26(2,3)24(19-28)27-25(29)18-20-12-10-11-17-23(20)30(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-17,24,28H,18-19H2,1-3H3,(H,27,29)/t24-/m1/s1
InChIKeyZUKQEZVGHPDZHH-XMMPIXPASA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 106355515
2-(2-chlorophenyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941053
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
CID 155445648
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
(2R)-N,N'-bis[(2-diphenylphosphanylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 89057700
N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]-2-methylpropanamide;3-methylbutan-2-one
CID 158654008
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
(1-hydroxy-3-methyl-3-phenylbutan-2-yl)carbamic acid
CID 154356432
2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 12968114
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776

Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide (CID 135077215) is 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide is CC(C)(C)[C@@H](CO)NC(=O)Cc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide?
The InChIKey is ZUKQEZVGHPDZHH-XMMPIXPASA-N. The full InChI is InChI=1S/C26H30NO2P/c1-26(2,3)24(19-28)27-25(29)18-20-12-10-11-17-23(20)30(21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-17,24,28H,18-19H2,1-3H3,(H,27,29)/t24-/m1/s1.
What are the key properties of 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide?
2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide has a molecular weight of 419.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphanylphenyl)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]acetamide is sourced from PubChem (CID 135077215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).