3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide

C20H26N2O2 — CID 91833615

IUPAC3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC1COC2(CCCCC2)C1
InChIInChI=1S/C20H26N2O2/c23-19(9-8-15-13-21-18-7-3-2-6-17(15)18)22-16-12-20(24-14-16)10-4-1-5-11-20/h2-3,6-7,13,16,21H,1,4-5,8-12,14H2,(H,22,23)
InChIKeyIYKSBAIRJPSDQJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.71
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide

3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide (PubChem CID 91833615) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide
PubChem CID91833615
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NC1COC2(CCCCC2)C1
InChIInChI=1S/C20H26N2O2/c23-19(9-8-15-13-21-18-7-3-2-6-17(15)18)22-16-12-20(24-14-16)10-4-1-5-11-20/h2-3,6-7,13,16,21H,1,4-5,8-12,14H2,(H,22,23)
InChIKeyIYKSBAIRJPSDQJ-UHFFFAOYSA-N
XLogP3.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propanamide;hydrochloride
CID 154901497
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450806
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546197
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(1H-indol-3-yl)propanamide
CID 155508216
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide (CID 91833615) is 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NC1COC2(CCCCC2)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is IYKSBAIRJPSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(9-8-15-13-21-18-7-3-2-6-17(15)18)22-16-12-20(24-14-16)10-4-1-5-11-20/h2-3,6-7,13,16,21H,1,4-5,8-12,14H2,(H,22,23).
What are the key properties of 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide?
3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 91833615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).