oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate

C36H65N5O11 — CID 161131339

IUPACoxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate
SMILESCCCCOCCOC(=O)NCCCCCCCC(=O)N(CCCCCCNC(=O)OCC1CO1)C(=O)NCCCCCCNC(=O)OCC1CO1
InChIInChI=1S/C36H65N5O11/c1-2-3-23-47-24-25-48-34(44)38-19-13-6-4-5-11-17-32(42)41(22-16-10-9-15-21-40-36(46)52-29-31-27-50-31)33(43)37-18-12-7-8-14-20-39-35(45)51-28-30-26-49-30/h30-31H,2-29H2,1H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)
InChIKeyQVQRSQJPPNFTJB-UHFFFAOYSA-N
MW743.94 g/mol
LogP4.78
Rot. Bonds32

About oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate

oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate (PubChem CID 161131339) has the molecular formula C36H65N5O11 and a molecular weight of 743.94 g/mol. Its IUPAC name is oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate
PubChem CID161131339
Molecular FormulaC36H65N5O11
Molecular Weight743.94 g/mol
Exact Mass743.47
IUPAC Nameoxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate
SMILESCCCCOCCOC(=O)NCCCCCCCC(=O)N(CCCCCCNC(=O)OCC1CO1)C(=O)NCCCCCCNC(=O)OCC1CO1
InChIInChI=1S/C36H65N5O11/c1-2-3-23-47-24-25-48-34(44)38-19-13-6-4-5-11-17-32(42)41(22-16-10-9-15-21-40-36(46)52-29-31-27-50-31)33(43)37-18-12-7-8-14-20-39-35(45)51-28-30-26-49-30/h30-31H,2-29H2,1H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)
InChIKeyQVQRSQJPPNFTJB-UHFFFAOYSA-N
XLogP4.78
TPSA198.69 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]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

oxiran-2-ylmethyl N-decylcarbamate
CID 102421283
oxiran-2-yl N-[6-[bis[6-(oxiran-2-ylmethoxycarbonylamino)hexylcarbamoyl]amino]hexyl]carbamate
CID 59456238
N-dodecyl-N-(dodecylcarbamoyl)henicosanamide
CID 54179843
4-[6-[bis(heptylcarbamoyl)amino]hexylcarbamoyloxy]butyl N-[6-[bis(heptylcarbamoyl)amino]hexyl]carbamate
CID 20789752
2-methoxyethyl N-[4-[di(tetradecyl)amino]-4-oxobutyl]carbamate
CID 171607237
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
1,3-diheptyl-1-(hexylcarbamoyl)urea
CID 89190547
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819
[4-(hydroxymethyl)oxetan-2-yl]methyl N-octadecylcarbamate
CID 21463379
N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
CID 88622123
3-triethoxysilylpropyl 8-[3-triethoxysilylpropoxycarbonyl-[6-(3-triethoxysilylpropoxycarbonylamino)hexylcarbamoyl]amino]octanoate
CID 158945249
decoxycarbonyl(pentyl)carbamic acid;decyl N-pentylcarbamate
CID 173281202

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate?
The IUPAC name of oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate (CID 161131339) is oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate.
What is the SMILES notation for oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate?
The canonical SMILES for oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate is CCCCOCCOC(=O)NCCCCCCCC(=O)N(CCCCCCNC(=O)OCC1CO1)C(=O)NCCCCCCNC(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate?
The InChIKey is QVQRSQJPPNFTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H65N5O11/c1-2-3-23-47-24-25-48-34(44)38-19-13-6-4-5-11-17-32(42)41(22-16-10-9-15-21-40-36(46)52-29-31-27-50-31)33(43)37-18-12-7-8-14-20-39-35(45)51-28-30-26-49-30/h30-31H,2-29H2,1H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46).
What are the key properties of oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate?
oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate has a molecular weight of 743.94 g/mol, XLogP of 4.78, 32 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate is sourced from PubChem (CID 161131339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).