N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C16H22N2O2 — CID 106609150

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C16H22N2O2/c1-2-18(11-13-7-5-9-17-13)16(19)15-10-12-6-3-4-8-14(12)20-15/h3-4,6,8,13,15,17H,2,5,7,9-11H2,1H3
InChIKeyDHIFRZMFUUPZMN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.59
Rot. Bonds4

About N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 106609150) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID106609150
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CC1CCCN1)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C16H22N2O2/c1-2-18(11-13-7-5-9-17-13)16(19)15-10-12-6-3-4-8-14(12)20-15/h3-4,6,8,13,15,17H,2,5,7,9-11H2,1H3
InChIKeyDHIFRZMFUUPZMN-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43187174
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
N-ethyl-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 106609122
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
N-ethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60807234
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106626211
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 54992715
N-ethyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106609453
N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106610262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 106609150) is N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(CC1CCCN1)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DHIFRZMFUUPZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-18(11-13-7-5-9-17-13)16(19)15-10-12-6-3-4-8-14(12)20-15/h3-4,6,8,13,15,17H,2,5,7,9-11H2,1H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106609150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).