[(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate

C17H19NO4 — CID 23836660

IUPAC[(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H](CCCO)c1ccc(O)cc1
InChIInChI=1S/C17H19NO4/c19-12-4-7-16(13-8-10-15(20)11-9-13)22-17(21)18-14-5-2-1-3-6-14/h1-3,5-6,8-11,16,19-20H,4,7,12H2,(H,18,21)/t16-/m1/s1
InChIKeyWAGIUHRDDYFSMV-MRXNPFEDSA-N
MW301.34 g/mol
LogP3.45
Rot. Bonds6

About [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate

[(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate (PubChem CID 23836660) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate
PubChem CID23836660
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name[(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@H](CCCO)c1ccc(O)cc1
InChIInChI=1S/C17H19NO4/c19-12-4-7-16(13-8-10-15(20)11-9-13)22-17(21)18-14-5-2-1-3-6-14/h1-3,5-6,8-11,16,19-20H,4,7,12H2,(H,18,21)/t16-/m1/s1
InChIKeyWAGIUHRDDYFSMV-MRXNPFEDSA-N
XLogP3.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-phenylcarbamate
CID 23808265
(E,5R)-5-[(4-bromophenyl)carbamoyloxy]-5-(4-hydroxyphenyl)pent-2-enoic acid
CID 23948638
[(E,1R)-1-(3-fluoro-4-hydroxyphenyl)-7-(hydroxyamino)-7-oxohept-5-enyl] N-phenylcarbamate
CID 23892676
[4-(carbamothioylhydrazinylidene)-1-phenylbutyl] N-phenylcarbamate
CID 173314699
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
[(E,1R,2S)-5-(hydroxyamino)-1-(4-hydroxyphenyl)-2-methyl-5-oxopent-3-enyl] N-phenylcarbamate
CID 23749936
[(1S)-4-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]butyl] N-(1,3-benzodioxol-5-yl)carbamate
CID 23948849
3,5-bis(phenylcarbamoyloxy)pentyl N-phenylcarbamate
CID 20688817
(2-imidazol-1-yl-1-phenylethyl) N-phenylcarbamate
CID 164618765
[(E,1R,2R)-2-ethoxy-7-(hydroxyamino)-1-(4-hydroxyphenyl)-7-oxohept-5-enyl] N-phenylcarbamate
CID 23807994
[(4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxyphenyl)butyl] 2-sulfanylacetate
CID 23892710
(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
CID 23836266

Frequently Asked Questions

What is the IUPAC name of [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate?
The IUPAC name of [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate (CID 23836660) is [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate.
What is the SMILES notation for [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate?
The canonical SMILES for [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@H](CCCO)c1ccc(O)cc1.
What is the InChIKey of [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate?
The InChIKey is WAGIUHRDDYFSMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO4/c19-12-4-7-16(13-8-10-15(20)11-9-13)22-17(21)18-14-5-2-1-3-6-14/h1-3,5-6,8-11,16,19-20H,4,7,12H2,(H,18,21)/t16-/m1/s1.
What are the key properties of [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate?
[(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate has a molecular weight of 301.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-hydroxy-1-(4-hydroxyphenyl)butyl] N-phenylcarbamate is sourced from PubChem (CID 23836660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).