8-azidooctan-3-yl N-(2-methoxyethyl)carbamate

C12H24N4O3 — CID 166006030

IUPAC8-azidooctan-3-yl N-(2-methoxyethyl)carbamate
SMILESCCC(CCCCCN=[N+]=[N-])OC(=O)NCCOC
InChIInChI=1S/C12H24N4O3/c1-3-11(7-5-4-6-8-15-16-13)19-12(17)14-9-10-18-2/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyFLWFXRGIDGWYHU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.01
Rot. Bonds11

About 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate

8-azidooctan-3-yl N-(2-methoxyethyl)carbamate (PubChem CID 166006030) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name8-azidooctan-3-yl N-(2-methoxyethyl)carbamate
PubChem CID166006030
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name8-azidooctan-3-yl N-(2-methoxyethyl)carbamate
SMILESCCC(CCCCCN=[N+]=[N-])OC(=O)NCCOC
InChIInChI=1S/C12H24N4O3/c1-3-11(7-5-4-6-8-15-16-13)19-12(17)14-9-10-18-2/h11H,3-10H2,1-2H3,(H,14,17)
InChIKeyFLWFXRGIDGWYHU-UHFFFAOYSA-N
XLogP3.01
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 8-azidooctan-3-yl N-(2-methoxyethyl)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

N-(5-azidopentyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 121333074
tert-butyl N-(9-azidononyl)carbamate
CID 138393789
1-chloroethyl N-(2-methoxyethyl)carbamate
CID 150618578
N-(4-azidobutyl)-2-ethylhexanamide
CID 106386552
(7-azido-1-methylsulfinylheptan-2-yl) carbonochloridate
CID 89428663
(2R)-6-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 71583251
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
tert-butyl N-(5-azido-3-methoxypentyl)carbamate
CID 178200963
tert-butyl N-[(5R)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 168911676
tert-butyl N-[(5S)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 170607029
2,6-bis(3-azidopropoxycarbonylamino)hexanoic acid
CID 90390462
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-azidohexanamide
CID 171532583

Frequently Asked Questions

What is the IUPAC name of 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate?
The IUPAC name of 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate (CID 166006030) is 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate.
What is the SMILES notation for 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate?
The canonical SMILES for 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate is CCC(CCCCCN=[N+]=[N-])OC(=O)NCCOC.
What is the InChIKey of 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate?
The InChIKey is FLWFXRGIDGWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-3-11(7-5-4-6-8-15-16-13)19-12(17)14-9-10-18-2/h11H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate?
8-azidooctan-3-yl N-(2-methoxyethyl)carbamate has a molecular weight of 272.35 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azidooctan-3-yl N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 166006030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).