2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C19H19NO3 — CID 7964651

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NC[C@@H]1CCCO1
InChIInChI=1S/C19H19NO3/c21-18(20-11-15-5-3-9-22-15)10-14-12-23-17-8-7-13-4-1-2-6-16(13)19(14)17/h1-2,4,6-8,12,15H,3,5,9-11H2,(H,20,21)/t15-/m0/s1
InChIKeyNOPOTUDYAVAYIC-HNNXBMFYSA-N
MW309.36 g/mol
LogP3.42
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 7964651) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID7964651
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NC[C@@H]1CCCO1
InChIInChI=1S/C19H19NO3/c21-18(20-11-15-5-3-9-22-15)10-14-12-23-17-8-7-13-4-1-2-6-16(13)19(14)17/h1-2,4,6-8,12,15H,3,5,9-11H2,(H,20,21)/t15-/m0/s1
InChIKeyNOPOTUDYAVAYIC-HNNXBMFYSA-N
XLogP3.42
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 18860751
2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 8531335
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11919788
2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 95272377
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
CID 4728287
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 18168407
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2874725

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 7964651) is 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(Cc1coc2ccc3ccccc3c12)NC[C@@H]1CCCO1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is NOPOTUDYAVAYIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(20-11-15-5-3-9-22-15)10-14-12-23-17-8-7-13-4-1-2-6-16(13)19(14)17/h1-2,4,6-8,12,15H,3,5,9-11H2,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 309.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 7964651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).