N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C23H25NO4 — CID 55744913

IUPACN-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C23H25NO4/c1-2-24(14-17-12-13-26-15-17)23(25)22-20(16-27-18-8-4-3-5-9-18)19-10-6-7-11-21(19)28-22/h3-11,17H,2,12-16H2,1H3
InChIKeySVZXREWVWOMRHB-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.51
Rot. Bonds7

About N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 55744913) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID55744913
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C23H25NO4/c1-2-24(14-17-12-13-26-15-17)23(25)22-20(16-27-18-8-4-3-5-9-18)19-10-6-7-11-21(19)28-22/h3-11,17H,2,12-16H2,1H3
InChIKeySVZXREWVWOMRHB-UHFFFAOYSA-N
XLogP4.51
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-methoxyethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 36840872
N-cyclohexyl-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18287633
[2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 8010882
N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119551177
N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 55675605
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 95276771
3-(oxan-4-ylmethoxymethyl)-1-benzofuran-2-carboxylic acid
CID 62381602
N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
CID 51082580
4-ethoxy-N-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 51098454
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 55744913) is N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is CCN(CC1CCOC1)C(=O)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is SVZXREWVWOMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-2-24(14-17-12-13-26-15-17)23(25)22-20(16-27-18-8-4-3-5-9-18)19-10-6-7-11-21(19)28-22/h3-11,17H,2,12-16H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55744913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).