CID 164924780

C9H20BNO3 — CID 164924780

IUPAC—
SMILESCC.[B]CC(=O)NC(COC)COC
InChIInChI=1S/C7H14BNO3.C2H6/c1-11-4-6(5-12-2)9-7(10)3-8;1-2/h6H,3-5H2,1-2H3,(H,9,10);1-2H3
InChIKeyGUFIQIRAZOVRAB-UHFFFAOYSA-N
MW201.07 g/mol
LogP0.38
Rot. Bonds6

About CID 164924780

CID 164924780 (PubChem CID 164924780) has the molecular formula C9H20BNO3 and a molecular weight of 201.07 g/mol.

Molecular Properties

Compound NameCID 164924780
PubChem CID164924780
Molecular FormulaC9H20BNO3
Molecular Weight201.07 g/mol
Exact Mass201.15
IUPAC Name—
SMILESCC.[B]CC(=O)NC(COC)COC
InChIInChI=1S/C7H14BNO3.C2H6/c1-11-4-6(5-12-2)9-7(10)3-8;1-2/h6H,3-5H2,1-2H3,(H,9,10);1-2H3
InChIKeyGUFIQIRAZOVRAB-UHFFFAOYSA-N
XLogP0.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 165120853
CID 165120853
N-(1-methoxybutan-2-yl)propanamide
CID 64590697
N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
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N-(1-bromo-3-methoxypropan-2-yl)-2-methylsulfanylacetamide
CID 106184209
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725
2-(2-aminoethoxy)-N-(1-methoxybutan-2-yl)acetamide
CID 79478592
N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106155980
3-chloro-N-(1-hydroxy-3-methoxypropan-2-yl)propanamide
CID 106186140
N-(4-bromo-1-methoxybutan-2-yl)pentanamide
CID 106156486
N-(1-chloro-3-methoxypropan-2-yl)-4-methylpentanamide
CID 106183361
N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
CID 21337734
N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide
CID 106184619

Frequently Asked Questions

What is the IUPAC name of CID 164924780?
The IUPAC name of CID 164924780 (CID 164924780) is not available.
What is the SMILES notation for CID 164924780?
The canonical SMILES for CID 164924780 is CC.[B]CC(=O)NC(COC)COC.
What is the InChIKey of CID 164924780?
The InChIKey is GUFIQIRAZOVRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BNO3.C2H6/c1-11-4-6(5-12-2)9-7(10)3-8;1-2/h6H,3-5H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of CID 164924780?
CID 164924780 has a molecular weight of 201.07 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164924780 is sourced from PubChem (CID 164924780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).