N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide

C19H26N2O3 — CID 134074323

IUPACN-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CC1CCCO1
InChIInChI=1S/C19H26N2O3/c1-14(22)20-15-4-5-18-17(11-15)19(6-9-23-10-7-19)13-21(18)12-16-3-2-8-24-16/h4-5,11,16H,2-3,6-10,12-13H2,1H3,(H,20,22)
InChIKeyNLGZLHIHJLMTBE-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.69
Rot. Bonds3

About N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide

N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide (PubChem CID 134074323) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide
PubChem CID134074323
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CC1CCCO1
InChIInChI=1S/C19H26N2O3/c1-14(22)20-15-4-5-18-17(11-15)19(6-9-23-10-7-19)13-21(18)12-16-3-2-8-24-16/h4-5,11,16H,2-3,6-10,12-13H2,1H3,(H,20,22)
InChIKeyNLGZLHIHJLMTBE-UHFFFAOYSA-N
XLogP2.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[1-(2-fluoroethyl)spiro[2H-indole-3,4'-oxane]-5-yl]oxolane-3-carboxamide
CID 97409703
N-[3-ethyl-1,1-dioxo-4-(oxolan-2-ylmethyl)-1λ6,2,4-benzothiadiazin-7-yl]acetamide
CID 83279439
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[4-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetamide
CID 51076373
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-(4-methylphenyl)-3-oxo-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97119962
N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182716
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate
CID 60568275
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide (CID 134074323) is N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2CC1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide?
The InChIKey is NLGZLHIHJLMTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(22)20-15-4-5-18-17(11-15)19(6-9-23-10-7-19)13-21(18)12-16-3-2-8-24-16/h4-5,11,16H,2-3,6-10,12-13H2,1H3,(H,20,22).
What are the key properties of N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide?
N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)spiro[2H-indole-3,4'-oxane]-5-yl]acetamide is sourced from PubChem (CID 134074323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).