9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide

C26H48N2O4 — CID 118147117

IUPAC9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide
SMILESO=C(CCCCCCCCC1CO1)NCCCCNC(=O)CCCCCCCCC1CO1
InChIInChI=1S/C26H48N2O4/c29-25(17-11-7-3-1-5-9-15-23-21-31-23)27-19-13-14-20-28-26(30)18-12-8-4-2-6-10-16-24-22-32-24/h23-24H,1-22H2,(H,27,29)(H,28,30)
InChIKeyXKEIOQMEENIDBO-UHFFFAOYSA-N
MW452.68 g/mol
LogP5.04
Rot. Bonds23

About 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide

9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide (PubChem CID 118147117) has the molecular formula C26H48N2O4 and a molecular weight of 452.68 g/mol. Its IUPAC name is 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide.

Molecular Properties

Compound Name9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide
PubChem CID118147117
Molecular FormulaC26H48N2O4
Molecular Weight452.68 g/mol
Exact Mass452.36
IUPAC Name9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide
SMILESO=C(CCCCCCCCC1CO1)NCCCCNC(=O)CCCCCCCCC1CO1
InChIInChI=1S/C26H48N2O4/c29-25(17-11-7-3-1-5-9-15-23-21-31-23)27-19-13-14-20-28-26(30)18-12-8-4-2-6-10-16-24-22-32-24/h23-24H,1-22H2,(H,27,29)(H,28,30)
InChIKeyXKEIOQMEENIDBO-UHFFFAOYSA-N
XLogP5.04
TPSA83.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.68
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide with MolForge

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Related Compounds

N-[5-(oxiran-2-yl)pentyl]propanamide
CID 143590768
N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
CID 88622123
2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
CID 135223244
10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide
CID 87578056
methyl 6-(oxiran-2-yl)hexanoate
CID 71401806
5-[(2S)-oxiran-2-yl]pentanoic acid
CID 124512995
2-methylidene-8-(oxiran-2-yl)octanamide
CID 135222774
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
N-(oxiran-2-ylmethyl)-8-sulfanyloctanamide
CID 166028734
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
2-methylidene-7-(oxiran-2-yl)heptanoic acid
CID 57153387

Frequently Asked Questions

What is the IUPAC name of 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide?
The IUPAC name of 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide (CID 118147117) is 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide.
What is the SMILES notation for 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide?
The canonical SMILES for 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide is O=C(CCCCCCCCC1CO1)NCCCCNC(=O)CCCCCCCCC1CO1.
What is the InChIKey of 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide?
The InChIKey is XKEIOQMEENIDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O4/c29-25(17-11-7-3-1-5-9-15-23-21-31-23)27-19-13-14-20-28-26(30)18-12-8-4-2-6-10-16-24-22-32-24/h23-24H,1-22H2,(H,27,29)(H,28,30).
What are the key properties of 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide?
9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide has a molecular weight of 452.68 g/mol, XLogP of 5.04, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide is sourced from PubChem (CID 118147117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).