2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide

C16H20N2O2 — CID 47406454

IUPAC2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CCCCO1
InChIInChI=1S/C16H20N2O2/c19-16(18-11-13-5-3-4-8-20-13)9-12-10-17-15-7-2-1-6-14(12)15/h1-2,6-7,10,13,17H,3-5,8-9,11H2,(H,18,19)
InChIKeyZFVSVRKJPMFIAL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide

2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide (PubChem CID 47406454) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
PubChem CID47406454
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCC1CCCCO1
InChIInChI=1S/C16H20N2O2/c19-16(18-11-13-5-3-4-8-20-13)9-12-10-17-15-7-2-1-6-14(12)15/h1-2,6-7,10,13,17H,3-5,8-9,11H2,(H,18,19)
InChIKeyZFVSVRKJPMFIAL-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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-(1H-indol-3-yl)ethyl]-N'-(oxolan-2-ylmethyl)propanediamide
CID 108943642
(2S)-2-amino-3-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119956844
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129356151
2-(1H-indol-3-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 119099720
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611350
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 102603532
2-(1H-indol-3-yl)-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420241
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 75444566

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide (CID 47406454) is 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCC1CCCCO1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide?
The InChIKey is ZFVSVRKJPMFIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(18-11-13-5-3-4-8-20-13)9-12-10-17-15-7-2-1-6-14(12)15/h1-2,6-7,10,13,17H,3-5,8-9,11H2,(H,18,19).
What are the key properties of 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide?
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide is sourced from PubChem (CID 47406454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).