benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate

C18H22NO7P — CID 54456265

IUPACbenzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate
SMILESCCOP(=O)(O)Oc1ccc(CCNC(=O)OCc2ccccc2)cc1O
InChIInChI=1S/C18H22NO7P/c1-2-25-27(22,23)26-17-9-8-14(12-16(17)20)10-11-19-18(21)24-13-15-6-4-3-5-7-15/h3-9,12,20H,2,10-11,13H2,1H3,(H,19,21)(H,22,23)
InChIKeyWYJWTZZTWXIDJC-UHFFFAOYSA-N
MW395.35 g/mol
LogP3.38
Rot. Bonds9

About benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate

benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate (PubChem CID 54456265) has the molecular formula C18H22NO7P and a molecular weight of 395.35 g/mol. Its IUPAC name is benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate
PubChem CID54456265
Molecular FormulaC18H22NO7P
Molecular Weight395.35 g/mol
Exact Mass395.11
IUPAC Namebenzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate
SMILESCCOP(=O)(O)Oc1ccc(CCNC(=O)OCc2ccccc2)cc1O
InChIInChI=1S/C18H22NO7P/c1-2-25-27(22,23)26-17-9-8-14(12-16(17)20)10-11-19-18(21)24-13-15-6-4-3-5-7-15/h3-9,12,20H,2,10-11,13H2,1H3,(H,19,21)(H,22,23)
InChIKeyWYJWTZZTWXIDJC-UHFFFAOYSA-N
XLogP3.38
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
ethoxy-[3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 89155670
(3S)-4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 54470992
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 23563491
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-[2-(4-ethynylphenyl)ethyl]carbamate
CID 138986465
benzyl N-[2-(2,4-difluoro-5-hydroxyphenyl)ethyl]carbamate
CID 68718683

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate (CID 54456265) is benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate is CCOP(=O)(O)Oc1ccc(CCNC(=O)OCc2ccccc2)cc1O.
What is the InChIKey of benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate?
The InChIKey is WYJWTZZTWXIDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO7P/c1-2-25-27(22,23)26-17-9-8-14(12-16(17)20)10-11-19-18(21)24-13-15-6-4-3-5-7-15/h3-9,12,20H,2,10-11,13H2,1H3,(H,19,21)(H,22,23).
What are the key properties of benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate?
benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate has a molecular weight of 395.35 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate is sourced from PubChem (CID 54456265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).