octyl N-(3,4,5-trihydroxyphenyl)carbamate

C15H23NO5 — CID 11044693

IUPACoctyl N-(3,4,5-trihydroxyphenyl)carbamate
SMILESCCCCCCCCOC(=O)Nc1cc(O)c(O)c(O)c1
InChIInChI=1S/C15H23NO5/c1-2-3-4-5-6-7-8-21-15(20)16-11-9-12(17)14(19)13(18)10-11/h9-10,17-19H,2-8H2,1H3,(H,16,20)
InChIKeyPDKIZQDBSNCWRS-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.71
Rot. Bonds8

About octyl N-(3,4,5-trihydroxyphenyl)carbamate

octyl N-(3,4,5-trihydroxyphenyl)carbamate (PubChem CID 11044693) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is octyl N-(3,4,5-trihydroxyphenyl)carbamate.

Molecular Properties

Compound Nameoctyl N-(3,4,5-trihydroxyphenyl)carbamate
PubChem CID11044693
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nameoctyl N-(3,4,5-trihydroxyphenyl)carbamate
SMILESCCCCCCCCOC(=O)Nc1cc(O)c(O)c(O)c1
InChIInChI=1S/C15H23NO5/c1-2-3-4-5-6-7-8-21-15(20)16-11-9-12(17)14(19)13(18)10-11/h9-10,17-19H,2-8H2,1H3,(H,16,20)
InChIKeyPDKIZQDBSNCWRS-UHFFFAOYSA-N
XLogP3.71
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
pentyl N-(3,4,5-trifluorophenyl)carbamate
CID 91118977
sodium 2-hydroxy-4-(octoxycarbonylamino)benzoate
CID 139688580
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
dodecyl N-phenylcarbamate
CID 521818
5-(dodecoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000995
octyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 54463320
nonacosyl 3,4,5-trihydroxybenzoate
CID 155658410
N-(4-octadecoxyphenyl)-N'-(3,4,5-trihydroxyphenyl)propanediamide
CID 18983744
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
octadecyl 2-(3,4,5-trihydroxyphenyl)acetate
CID 155147439

Frequently Asked Questions

What is the IUPAC name of octyl N-(3,4,5-trihydroxyphenyl)carbamate?
The IUPAC name of octyl N-(3,4,5-trihydroxyphenyl)carbamate (CID 11044693) is octyl N-(3,4,5-trihydroxyphenyl)carbamate.
What is the SMILES notation for octyl N-(3,4,5-trihydroxyphenyl)carbamate?
The canonical SMILES for octyl N-(3,4,5-trihydroxyphenyl)carbamate is CCCCCCCCOC(=O)Nc1cc(O)c(O)c(O)c1.
What is the InChIKey of octyl N-(3,4,5-trihydroxyphenyl)carbamate?
The InChIKey is PDKIZQDBSNCWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-2-3-4-5-6-7-8-21-15(20)16-11-9-12(17)14(19)13(18)10-11/h9-10,17-19H,2-8H2,1H3,(H,16,20).
What are the key properties of octyl N-(3,4,5-trihydroxyphenyl)carbamate?
octyl N-(3,4,5-trihydroxyphenyl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.71, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-(3,4,5-trihydroxyphenyl)carbamate is sourced from PubChem (CID 11044693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).