CID 174193763

C10H12BNO2 — CID 174193763

IUPAC—
SMILES[B]CC(=O)Nc1ccccc1OCC
InChIInChI=1S/C10H12BNO2/c1-2-14-9-6-4-3-5-8(9)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyJQYLODYHRUVCGH-UHFFFAOYSA-N
MW189.02 g/mol
LogP1.61
Rot. Bonds4

About CID 174193763

CID 174193763 (PubChem CID 174193763) has the molecular formula C10H12BNO2 and a molecular weight of 189.02 g/mol.

Molecular Properties

Compound NameCID 174193763
PubChem CID174193763
Molecular FormulaC10H12BNO2
Molecular Weight189.02 g/mol
Exact Mass189.10
IUPAC Name—
SMILES[B]CC(=O)Nc1ccccc1OCC
InChIInChI=1S/C10H12BNO2/c1-2-14-9-6-4-3-5-8(9)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyJQYLODYHRUVCGH-UHFFFAOYSA-N
XLogP1.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-ethoxyanilino)-3-oxopropanoate
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N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
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4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
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CID 78768376
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
N-(2-ethoxyphenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358452
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
N-(2-ethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 727173

Frequently Asked Questions

What is the IUPAC name of CID 174193763?
The IUPAC name of CID 174193763 (CID 174193763) is not available.
What is the SMILES notation for CID 174193763?
The canonical SMILES for CID 174193763 is [B]CC(=O)Nc1ccccc1OCC.
What is the InChIKey of CID 174193763?
The InChIKey is JQYLODYHRUVCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO2/c1-2-14-9-6-4-3-5-8(9)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of CID 174193763?
CID 174193763 has a molecular weight of 189.02 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174193763 is sourced from PubChem (CID 174193763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).