(2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one

C28H32NO4P — CID 102187904

IUPAC(2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1C(=O)[C@H](O)[C@H](NP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C28H32NO4P/c1-33-25-20-12-11-19-24(25)27(30)28(31)26(21-13-5-2-6-14-21)29-34(32,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h3-4,7-12,15-21,26,28,31H,2,5-6,13-14H2,1H3,(H,29,32)/t26-,28-/m1/s1
InChIKeyXGVNIMZPLGTXKN-IXCJQBJRSA-N
MW477.54 g/mol
LogP4.71
Rot. Bonds9

About (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one

(2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one (PubChem CID 102187904) has the molecular formula C28H32NO4P and a molecular weight of 477.54 g/mol. Its IUPAC name is (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one
PubChem CID102187904
Molecular FormulaC28H32NO4P
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name(2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1C(=O)[C@H](O)[C@H](NP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C28H32NO4P/c1-33-25-20-12-11-19-24(25)27(30)28(31)26(21-13-5-2-6-14-21)29-34(32,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h3-4,7-12,15-21,26,28,31H,2,5-6,13-14H2,1H3,(H,29,32)/t26-,28-/m1/s1
InChIKeyXGVNIMZPLGTXKN-IXCJQBJRSA-N
XLogP4.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-hydroxy-1-(2-methoxyphenyl)ethanone
CID 103457383
(2R,3R)-3-(4-bromophenyl)-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one
CID 101242769
2-(cycloheptylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100983
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
methyl (3R)-4-cyclohexyl-3-(diphenylphosphorylamino)-2-methylidenebutanoate
CID 102044114
3-cyclobutyl-3-hydroxy-1-(2-methoxyphenyl)propan-1-one
CID 102289193
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8563198
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134
(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
CID 102254058

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one?
The IUPAC name of (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one (CID 102187904) is (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one is COc1ccccc1C(=O)[C@H](O)[C@H](NP(=O)(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one?
The InChIKey is XGVNIMZPLGTXKN-IXCJQBJRSA-N. The full InChI is InChI=1S/C28H32NO4P/c1-33-25-20-12-11-19-24(25)27(30)28(31)26(21-13-5-2-6-14-21)29-34(32,22-15-7-3-8-16-22)23-17-9-4-10-18-23/h3-4,7-12,15-21,26,28,31H,2,5-6,13-14H2,1H3,(H,29,32)/t26-,28-/m1/s1.
What are the key properties of (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one?
(2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one has a molecular weight of 477.54 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-cyclohexyl-3-(diphenylphosphorylamino)-2-hydroxy-1-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 102187904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).