CID 169190202

C12H22BNO4 — CID 169190202

IUPAC—
SMILES[B]C(=O)CCCCC(=O)NCCOCCOCC
InChIInChI=1S/C12H22BNO4/c1-2-17-9-10-18-8-7-14-12(16)6-4-3-5-11(13)15/h2-10H2,1H3,(H,14,16)
InChIKeyFGGGGAKLJRZEDK-UHFFFAOYSA-N
MW255.12 g/mol
LogP0.41
Rot. Bonds12

About CID 169190202

CID 169190202 (PubChem CID 169190202) has the molecular formula C12H22BNO4 and a molecular weight of 255.12 g/mol.

Molecular Properties

Compound NameCID 169190202
PubChem CID169190202
Molecular FormulaC12H22BNO4
Molecular Weight255.12 g/mol
Exact Mass255.16
IUPAC Name—
SMILES[B]C(=O)CCCCC(=O)NCCOCCOCC
InChIInChI=1S/C12H22BNO4/c1-2-17-9-10-18-8-7-14-12(16)6-4-3-5-11(13)15/h2-10H2,1H3,(H,14,16)
InChIKeyFGGGGAKLJRZEDK-UHFFFAOYSA-N
XLogP0.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-N-[2-(3-methylbutoxy)ethyl]pentanamide;molecular hydrogen
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N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
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5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
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N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide
CID 134259653
N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 167513156
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992

Frequently Asked Questions

What is the IUPAC name of CID 169190202?
The IUPAC name of CID 169190202 (CID 169190202) is not available.
What is the SMILES notation for CID 169190202?
The canonical SMILES for CID 169190202 is [B]C(=O)CCCCC(=O)NCCOCCOCC.
What is the InChIKey of CID 169190202?
The InChIKey is FGGGGAKLJRZEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BNO4/c1-2-17-9-10-18-8-7-14-12(16)6-4-3-5-11(13)15/h2-10H2,1H3,(H,14,16).
What are the key properties of CID 169190202?
CID 169190202 has a molecular weight of 255.12 g/mol, XLogP of 0.41, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169190202 is sourced from PubChem (CID 169190202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).