2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C16H20N2O2 — CID 110849461

IUPAC2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc2c(CC(=O)NCC3CCCO3)c[nH]c12
InChIInChI=1S/C16H20N2O2/c1-11-4-2-6-14-12(9-18-16(11)14)8-15(19)17-10-13-5-3-7-20-13/h2,4,6,9,13,18H,3,5,7-8,10H2,1H3,(H,17,19)
InChIKeyPDKOROTZAWIVIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds4

About 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 110849461) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID110849461
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cccc2c(CC(=O)NCC3CCCO3)c[nH]c12
InChIInChI=1S/C16H20N2O2/c1-11-4-2-6-14-12(9-18-16(11)14)8-15(19)17-10-13-5-3-7-20-13/h2,4,6,9,13,18H,3,5,7-8,10H2,1H3,(H,17,19)
InChIKeyPDKOROTZAWIVIY-UHFFFAOYSA-N
XLogP2.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 111471037
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111780766
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 25322575
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
N-[2-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 110849461) is 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1cccc2c(CC(=O)NCC3CCCO3)c[nH]c12.
What is the InChIKey of 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PDKOROTZAWIVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-4-2-6-14-12(9-18-16(11)14)8-15(19)17-10-13-5-3-7-20-13/h2,4,6,9,13,18H,3,5,7-8,10H2,1H3,(H,17,19).
What are the key properties of 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 110849461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).