3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide

C16H20N2O2 — CID 2999224

IUPAC3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCC1CCCO1
InChIInChI=1S/C16H20N2O2/c19-16(18-11-13-4-3-9-20-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,17H,3-4,7-9,11H2,(H,18,19)
InChIKeyIFGDYXRDORPWDY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide

3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2999224) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2999224
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCC1CCCO1
InChIInChI=1S/C16H20N2O2/c19-16(18-11-13-4-3-9-20-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,17H,3-4,7-9,11H2,(H,18,19)
InChIKeyIFGDYXRDORPWDY-UHFFFAOYSA-N
XLogP2.40
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 2999224) is 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCC1CCCO1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is IFGDYXRDORPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(18-11-13-4-3-9-20-13)8-7-12-10-17-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,17H,3-4,7-9,11H2,(H,18,19).
What are the key properties of 3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
3-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.40, 5 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-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2999224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).