CID 88976195

C19H25BN2O3 — CID 88976195

IUPAC—
SMILES[B]c1ccc2c(c1)NC(=O)C21CCC(OCCN2CCOCC2)CC1
InChIInChI=1S/C19H25BN2O3/c20-14-1-2-16-17(13-14)21-18(23)19(16)5-3-15(4-6-19)25-12-9-22-7-10-24-11-8-22/h1-2,13,15H,3-12H2,(H,21,23)
InChIKeyLSRBCCRQEVVEBW-UHFFFAOYSA-N
MW340.23 g/mol
LogP0.96
Rot. Bonds4

About CID 88976195

CID 88976195 (PubChem CID 88976195) has the molecular formula C19H25BN2O3 and a molecular weight of 340.23 g/mol.

Molecular Properties

Compound NameCID 88976195
PubChem CID88976195
Molecular FormulaC19H25BN2O3
Molecular Weight340.23 g/mol
Exact Mass340.20
IUPAC Name—
SMILES[B]c1ccc2c(c1)NC(=O)C21CCC(OCCN2CCOCC2)CC1
InChIInChI=1S/C19H25BN2O3/c20-14-1-2-16-17(13-14)21-18(23)19(16)5-3-15(4-6-19)25-12-9-22-7-10-24-11-8-22/h1-2,13,15H,3-12H2,(H,21,23)
InChIKeyLSRBCCRQEVVEBW-UHFFFAOYSA-N
XLogP0.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one
CID 58154278
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CID 71234494
6-tert-butylspiro[1H-indole-3,4'-oxane]-2-one
CID 168764435
4-[2-(1,2,3,4-tetrahydroquinolin-3-yloxy)ethyl]morpholine
CID 107387425
6-(trifluoromethyl)spiro[1H-indole-3,4'-oxane]-2-one
CID 125421520
4,10-bis[2-(3,4-diphenylcyclopentyl)oxyethyl]-1,7-dioxa-4,10-diazacyclododecane
CID 72568901
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[4-(2-morpholin-4-ylethoxy)piperidin-1-yl]propanamide
CID 96522482
1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine
CID 113414133
4'-amino-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 84627749
6-bromo-4'-hydroxyspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 66958239
4-bromo-N-methyl-N-[4-(2-morpholin-4-ylethoxy)cyclohexyl]benzenesulfonamide
CID 22568119
2-oxospiro[1H-indole-3,1'-cyclopropane]-6-carbaldehyde
CID 90105604

Frequently Asked Questions

What is the IUPAC name of CID 88976195?
The IUPAC name of CID 88976195 (CID 88976195) is not available.
What is the SMILES notation for CID 88976195?
The canonical SMILES for CID 88976195 is [B]c1ccc2c(c1)NC(=O)C21CCC(OCCN2CCOCC2)CC1.
What is the InChIKey of CID 88976195?
The InChIKey is LSRBCCRQEVVEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BN2O3/c20-14-1-2-16-17(13-14)21-18(23)19(16)5-3-15(4-6-19)25-12-9-22-7-10-24-11-8-22/h1-2,13,15H,3-12H2,(H,21,23).
What are the key properties of CID 88976195?
CID 88976195 has a molecular weight of 340.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88976195 is sourced from PubChem (CID 88976195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).