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

C20H22N2O2 — CID 75420561

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)C(c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H22N2O2/c1-2-22(20(23)14-5-6-14)19(17-4-3-10-21-13-17)16-7-8-18-15(12-16)9-11-24-18/h3-4,7-8,10,12-14,19H,2,5-6,9,11H2,1H3
InChIKeyYQPCCMLWFFYFOZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.36
Rot. Bonds5

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

N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide (PubChem CID 75420561) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide
PubChem CID75420561
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide
SMILESCCN(C(=O)C1CC1)C(c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H22N2O2/c1-2-22(20(23)14-5-6-14)19(17-4-3-10-21-13-17)16-7-8-18-15(12-16)9-11-24-18/h3-4,7-8,10,12-14,19H,2,5-6,9,11H2,1H3
InChIKeyYQPCCMLWFFYFOZ-UHFFFAOYSA-N
XLogP3.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopentene-1-carboxamide
CID 97320998
N-[(S)-2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]ethanamine
CID 51695445
trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 124850594
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
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyridin-3-ylacetamide
CID 91784237
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
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 100702660
(S)-(4-propyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-pyridin-3-ylmethanol
CID 42277346

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide (CID 75420561) is N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide is CCN(C(=O)C1CC1)C(c1cccnc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide?
The InChIKey is YQPCCMLWFFYFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-22(20(23)14-5-6-14)19(17-4-3-10-21-13-17)16-7-8-18-15(12-16)9-11-24-18/h3-4,7-8,10,12-14,19H,2,5-6,9,11H2,1H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide?
N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylcyclopropanecarboxamide is sourced from PubChem (CID 75420561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).