N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide

C22H24N2O2 — CID 97320998

IUPACN-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide
SMILESCCN(C(=O)C1=CCCC1)[C@H](c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H24N2O2/c1-2-24(22(25)16-6-3-4-7-16)21(19-8-5-12-23-15-19)18-9-10-20-17(14-18)11-13-26-20/h5-6,8-10,12,14-15,21H,2-4,7,11,13H2,1H3/t21-/m0/s1
InChIKeyHGBCEXXSGJKYGL-NRFANRHFSA-N
MW348.45 g/mol
LogP4.06
Rot. Bonds5

About N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide

N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide (PubChem CID 97320998) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide
PubChem CID97320998
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide
SMILESCCN(C(=O)C1=CCCC1)[C@H](c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H24N2O2/c1-2-24(22(25)16-6-3-4-7-16)21(19-8-5-12-23-15-19)18-9-10-20-17(14-18)11-13-26-20/h5-6,8-10,12,14-15,21H,2-4,7,11,13H2,1H3/t21-/m0/s1
InChIKeyHGBCEXXSGJKYGL-NRFANRHFSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide with MolForge

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide
CID 75420561
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104542511
2-[acetyl(ethyl)amino]-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 63702713
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
1-(cyclopenten-1-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 103447993
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
CID 86935663
(3S)-N-ethyl-N-[(R)-(4-methoxyphenyl)-pyridin-3-ylmethyl]oxolane-3-carboxamide
CID 97213070
trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 124850594
cyclohexen-1-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200881

Frequently Asked Questions

What is the IUPAC name of N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide?
The IUPAC name of N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide (CID 97320998) is N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide.
What is the SMILES notation for N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide?
The canonical SMILES for N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide is CCN(C(=O)C1=CCCC1)[C@H](c1cccnc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide?
The InChIKey is HGBCEXXSGJKYGL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-24(22(25)16-6-3-4-7-16)21(19-8-5-12-23-15-19)18-9-10-20-17(14-18)11-13-26-20/h5-6,8-10,12,14-15,21H,2-4,7,11,13H2,1H3/t21-/m0/s1.
What are the key properties of N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide?
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide is sourced from PubChem (CID 97320998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).