CID 88883939

C11H24BN4O7 — CID 88883939

IUPAC—
SMILESCO[B]NOCC(=O)NCCOCCOCCNC(=O)CON
InChIInChI=1S/C11H24BN4O7/c1-19-12-16-23-9-11(18)15-3-5-21-7-6-20-4-2-14-10(17)8-22-13/h16H,2-9,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyQZQBPCDACAIWHF-UHFFFAOYSA-N
MW335.15 g/mol
LogP-3.16
Rot. Bonds16

About CID 88883939

CID 88883939 (PubChem CID 88883939) has the molecular formula C11H24BN4O7 and a molecular weight of 335.15 g/mol.

Molecular Properties

Compound NameCID 88883939
PubChem CID88883939
Molecular FormulaC11H24BN4O7
Molecular Weight335.15 g/mol
Exact Mass335.17
IUPAC Name—
SMILESCO[B]NOCC(=O)NCCOCCOCCNC(=O)CON
InChIInChI=1S/C11H24BN4O7/c1-19-12-16-23-9-11(18)15-3-5-21-7-6-20-4-2-14-10(17)8-22-13/h16H,2-9,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyQZQBPCDACAIWHF-UHFFFAOYSA-N
XLogP-3.16
TPSA142.40 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 5-3.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 121257831
N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 123264301
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
2-methyl-N-[2-[2-[2-[[2-(phosphanylamino)oxyacetyl]amino]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 144887822
tert-butyl N-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 59658355
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-aminooxy-N-[2-(3-sulfanylpropoxy)ethyl]acetamide;octa-2,4,6-triyne
CID 160504996
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 177056741
N-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethyl]propanamide
CID 118258329

Frequently Asked Questions

What is the IUPAC name of CID 88883939?
The IUPAC name of CID 88883939 (CID 88883939) is not available.
What is the SMILES notation for CID 88883939?
The canonical SMILES for CID 88883939 is CO[B]NOCC(=O)NCCOCCOCCNC(=O)CON.
What is the InChIKey of CID 88883939?
The InChIKey is QZQBPCDACAIWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BN4O7/c1-19-12-16-23-9-11(18)15-3-5-21-7-6-20-4-2-14-10(17)8-22-13/h16H,2-9,13H2,1H3,(H,14,17)(H,15,18).
What are the key properties of CID 88883939?
CID 88883939 has a molecular weight of 335.15 g/mol, XLogP of -3.16, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88883939 is sourced from PubChem (CID 88883939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).