octyl N-[6-(octoxycarbonylamino)hexyl]carbamate

C24H48N2O4 — CID 14793287

IUPACoctyl N-[6-(octoxycarbonylamino)hexyl]carbamate
SMILESCCCCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCCC
InChIInChI=1S/C24H48N2O4/c1-3-5-7-9-13-17-21-29-23(27)25-19-15-11-12-16-20-26-24(28)30-22-18-14-10-8-6-4-2/h3-22H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyICVPGHUJIKSPFD-UHFFFAOYSA-N
MW428.66 g/mol
LogP6.72
Rot. Bonds21

About octyl N-[6-(octoxycarbonylamino)hexyl]carbamate

octyl N-[6-(octoxycarbonylamino)hexyl]carbamate (PubChem CID 14793287) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is octyl N-[6-(octoxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Nameoctyl N-[6-(octoxycarbonylamino)hexyl]carbamate
PubChem CID14793287
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC Nameoctyl N-[6-(octoxycarbonylamino)hexyl]carbamate
SMILESCCCCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCCC
InChIInChI=1S/C24H48N2O4/c1-3-5-7-9-13-17-21-29-23(27)25-19-15-11-12-16-20-26-24(28)30-22-18-14-10-8-6-4-2/h3-22H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyICVPGHUJIKSPFD-UHFFFAOYSA-N
XLogP6.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 56.72
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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Frequently Asked Questions

What is the IUPAC name of octyl N-[6-(octoxycarbonylamino)hexyl]carbamate?
The IUPAC name of octyl N-[6-(octoxycarbonylamino)hexyl]carbamate (CID 14793287) is octyl N-[6-(octoxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for octyl N-[6-(octoxycarbonylamino)hexyl]carbamate?
The canonical SMILES for octyl N-[6-(octoxycarbonylamino)hexyl]carbamate is CCCCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCCC.
What is the InChIKey of octyl N-[6-(octoxycarbonylamino)hexyl]carbamate?
The InChIKey is ICVPGHUJIKSPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4/c1-3-5-7-9-13-17-21-29-23(27)25-19-15-11-12-16-20-26-24(28)30-22-18-14-10-8-6-4-2/h3-22H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of octyl N-[6-(octoxycarbonylamino)hexyl]carbamate?
octyl N-[6-(octoxycarbonylamino)hexyl]carbamate has a molecular weight of 428.66 g/mol, XLogP of 6.72, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-[6-(octoxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 14793287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).