octacosyl carbamate

C58H118N2O4 — CID 160925840

IUPACoctacosyl carbamate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(N)=O.CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(N)=O
InChIInChI=1S/2C29H59NO2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-29(30)31/h2*2-28H2,1H3,(H2,30,31)
InChIKeySSPZDVFPPNTZKK-UHFFFAOYSA-N
MW907.59 g/mol
LogP20.49
Rot. Bonds54

About octacosyl carbamate

octacosyl carbamate (PubChem CID 160925840) has the molecular formula C58H118N2O4 and a molecular weight of 907.59 g/mol. Its IUPAC name is octacosyl carbamate.

Molecular Properties

Compound Nameoctacosyl carbamate
PubChem CID160925840
Molecular FormulaC58H118N2O4
Molecular Weight907.59 g/mol
Exact Mass906.91
IUPAC Nameoctacosyl carbamate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(N)=O.CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(N)=O
InChIInChI=1S/2C29H59NO2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-29(30)31/h2*2-28H2,1H3,(H2,30,31)
InChIKeySSPZDVFPPNTZKK-UHFFFAOYSA-N
XLogP20.49
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds54
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.59
LogP ≤ 520.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze octacosyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;pentyl carbamate
CID 142339635
butyl carbamate;hydrochloride
CID 88609650
butyl carbamate;phosphane
CID 174948771
butyl carbamate;hydroiodide
CID 161347358
9-carbamoyloxynonyl carbamate
CID 87883969
(6-carbamoyloxy-6-triacontylhexatriacontyl) carbamate
CID 123442125
tetratriacontyl carbonobromidate
CID 174733362
heptyl octyl carbonate
CID 21498015
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
dioctyl carbonate
CID 174882674
ditridecyl oxalate
CID 18377796

Frequently Asked Questions

What is the IUPAC name of octacosyl carbamate?
The IUPAC name of octacosyl carbamate (CID 160925840) is octacosyl carbamate.
What is the SMILES notation for octacosyl carbamate?
The canonical SMILES for octacosyl carbamate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(N)=O.CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(N)=O.
What is the InChIKey of octacosyl carbamate?
The InChIKey is SSPZDVFPPNTZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H59NO2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-29(30)31/h2*2-28H2,1H3,(H2,30,31).
What are the key properties of octacosyl carbamate?
octacosyl carbamate has a molecular weight of 907.59 g/mol, XLogP of 20.49, 54 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octacosyl carbamate is sourced from PubChem (CID 160925840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).