N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

C23H24N2O4 — CID 51187023

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C23H24N2O4/c26-21(25-14-6-7-15-25)12-13-24-23(27)22-19(16-28-17-8-2-1-3-9-17)18-10-4-5-11-20(18)29-22/h1-5,8-11H,6-7,12-16H2,(H,24,27)
InChIKeyJWWDRIHWBHZQGN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.75
Rot. Bonds7

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 51187023) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID51187023
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1oc2ccccc2c1COc1ccccc1
InChIInChI=1S/C23H24N2O4/c26-21(25-14-6-7-15-25)12-13-24-23(27)22-19(16-28-17-8-2-1-3-9-17)18-10-4-5-11-20(18)29-22/h1-5,8-11H,6-7,12-16H2,(H,24,27)
InChIKeyJWWDRIHWBHZQGN-UHFFFAOYSA-N
XLogP3.75
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(phenoxymethyl)-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 35809417
3-(phenoxymethyl)-N-(2-piperazin-1-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119445982
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711
3-(phenoxymethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 7661645
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7542257
N-[2-(aminomethyl)cyclopentyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119601780
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 82711670
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
3-[(4-fluorophenoxy)methyl]-1-benzofuran-2-carboxylic acid
CID 28943189

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide (CID 51187023) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is O=C(NCCC(=O)N1CCCC1)c1oc2ccccc2c1COc1ccccc1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is JWWDRIHWBHZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(25-14-6-7-15-25)12-13-24-23(27)22-19(16-28-17-8-2-1-3-9-17)18-10-4-5-11-20(18)29-22/h1-5,8-11H,6-7,12-16H2,(H,24,27).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51187023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).