(4-acetyl-3-hydroxyphenyl) N-octylcarbamate

C17H25NO4 — CID 22971769

IUPAC(4-acetyl-3-hydroxyphenyl) N-octylcarbamate
SMILESCCCCCCCCNC(=O)Oc1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C17H25NO4/c1-3-4-5-6-7-8-11-18-17(21)22-14-9-10-15(13(2)19)16(20)12-14/h9-10,12,20H,3-8,11H2,1-2H3,(H,18,21)
InChIKeyZBWHTGYQZICJCW-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.04
Rot. Bonds9

About (4-acetyl-3-hydroxyphenyl) N-octylcarbamate

(4-acetyl-3-hydroxyphenyl) N-octylcarbamate (PubChem CID 22971769) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (4-acetyl-3-hydroxyphenyl) N-octylcarbamate.

Molecular Properties

Compound Name(4-acetyl-3-hydroxyphenyl) N-octylcarbamate
PubChem CID22971769
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(4-acetyl-3-hydroxyphenyl) N-octylcarbamate
SMILESCCCCCCCCNC(=O)Oc1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C17H25NO4/c1-3-4-5-6-7-8-11-18-17(21)22-14-9-10-15(13(2)19)16(20)12-14/h9-10,12,20H,3-8,11H2,1-2H3,(H,18,21)
InChIKeyZBWHTGYQZICJCW-UHFFFAOYSA-N
XLogP4.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(decylcarbamoyloxy)phenyl]sulfonylphenyl] N-decylcarbamate
CID 102112450
methyl 4-(hexylcarbamoyloxy)benzoate
CID 42646580
[3,5-bis(butylcarbamoyloxy)phenyl] N-butylcarbamate
CID 139198999
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
dibenzofuran-2-yl N-hexylcarbamate
CID 15229767
quinolin-6-yl N-hexylcarbamate
CID 11587138
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754
[4-(dimethylamino)-3-phenylphenyl] N-hexylcarbamate
CID 146404459
(3,5-ditert-butyl-4-hydroxyphenyl)methyl N-[6-[(4-benzoyl-3-hydroxyphenoxy)carbonylamino]hexyl]carbamate
CID 100921176
(4-aminophenyl) N-butylcarbamate
CID 126552960
[4-[[3,5-bis[[4-(butylcarbamoyloxy)phenyl]methyl]phenyl]methyl]phenyl] N-butylcarbamate
CID 101189990

Frequently Asked Questions

What is the IUPAC name of (4-acetyl-3-hydroxyphenyl) N-octylcarbamate?
The IUPAC name of (4-acetyl-3-hydroxyphenyl) N-octylcarbamate (CID 22971769) is (4-acetyl-3-hydroxyphenyl) N-octylcarbamate.
What is the SMILES notation for (4-acetyl-3-hydroxyphenyl) N-octylcarbamate?
The canonical SMILES for (4-acetyl-3-hydroxyphenyl) N-octylcarbamate is CCCCCCCCNC(=O)Oc1ccc(C(C)=O)c(O)c1.
What is the InChIKey of (4-acetyl-3-hydroxyphenyl) N-octylcarbamate?
The InChIKey is ZBWHTGYQZICJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-4-5-6-7-8-11-18-17(21)22-14-9-10-15(13(2)19)16(20)12-14/h9-10,12,20H,3-8,11H2,1-2H3,(H,18,21).
What are the key properties of (4-acetyl-3-hydroxyphenyl) N-octylcarbamate?
(4-acetyl-3-hydroxyphenyl) N-octylcarbamate has a molecular weight of 307.39 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyl-3-hydroxyphenyl) N-octylcarbamate is sourced from PubChem (CID 22971769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).