ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate

C19H26NO6P — CID 23420188

IUPACethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
SMILESCCOC(=O)N[C@H](c1ccc2ccccc2c1)[C@H](O)P(=O)(OCC)OCC
InChIInChI=1S/C19H26NO6P/c1-4-24-19(22)20-17(18(21)27(23,25-5-2)26-6-3)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17-18,21H,4-6H2,1-3H3,(H,20,22)/t17-,18-/m1/s1
InChIKeyMXFCVKGQLGRWDE-QZTJIDSGSA-N
MW395.39 g/mol
LogP4.21
Rot. Bonds9

About ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate

ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate (PubChem CID 23420188) has the molecular formula C19H26NO6P and a molecular weight of 395.39 g/mol. Its IUPAC name is ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
PubChem CID23420188
Molecular FormulaC19H26NO6P
Molecular Weight395.39 g/mol
Exact Mass395.15
IUPAC Nameethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
SMILESCCOC(=O)N[C@H](c1ccc2ccccc2c1)[C@H](O)P(=O)(OCC)OCC
InChIInChI=1S/C19H26NO6P/c1-4-24-19(22)20-17(18(21)27(23,25-5-2)26-6-3)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17-18,21H,4-6H2,1-3H3,(H,20,22)/t17-,18-/m1/s1
InChIKeyMXFCVKGQLGRWDE-QZTJIDSGSA-N
XLogP4.21
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-(4-nitrophenyl)ethyl]carbamate
CID 23420187
ethyl N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 15364975
1-diethoxyphosphoryl-N-[diethoxyphosphoryl(naphthalen-2-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 102252523
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
CID 90197847
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethyl 2-diethoxyphosphoryl-3-(2-hydroxy-2-naphthalen-2-yl-1-phenylethyl)sulfanyl-4-methylpentanoate
CID 10578753
ethyl N-[3-[2-(1-naphthalen-2-ylethylamino)-2-oxoethoxy]phenyl]carbamate
CID 42989119
methyl 2-[(R)-(methoxycarbonylamino)-naphthalen-2-ylmethyl]-3-oxobutanoate
CID 23872060
ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 11132476
ethoxy-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]phosphinic acid
CID 102076632
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate?
The IUPAC name of ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate (CID 23420188) is ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate.
What is the SMILES notation for ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate?
The canonical SMILES for ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate is CCOC(=O)N[C@H](c1ccc2ccccc2c1)[C@H](O)P(=O)(OCC)OCC.
What is the InChIKey of ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate?
The InChIKey is MXFCVKGQLGRWDE-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H26NO6P/c1-4-24-19(22)20-17(18(21)27(23,25-5-2)26-6-3)16-12-11-14-9-7-8-10-15(14)13-16/h7-13,17-18,21H,4-6H2,1-3H3,(H,20,22)/t17-,18-/m1/s1.
What are the key properties of ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate?
ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate has a molecular weight of 395.39 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R,2R)-2-diethoxyphosphoryl-2-hydroxy-1-naphthalen-2-ylethyl]carbamate is sourced from PubChem (CID 23420188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).