N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide

C18H19NO2 — CID 110698818

IUPACN-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C18H19NO2/c1-2-19(13-14-8-4-3-5-9-14)18(20)17-12-15-10-6-7-11-16(15)21-17/h3-11,17H,2,12-13H2,1H3
InChIKeyQMZBGNFMJWNZAT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.04
Rot. Bonds4

About N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 110698818) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID110698818
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C18H19NO2/c1-2-19(13-14-8-4-3-5-9-14)18(20)17-12-15-10-6-7-11-16(15)21-17/h3-11,17H,2,12-13H2,1H3
InChIKeyQMZBGNFMJWNZAT-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 54992715
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 80659567
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
CID 60831340
2-[2,3-dihydro-1-benzofuran-2-carbonyl(prop-2-enyl)amino]acetic acid
CID 79256895
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
(2S)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702733
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 110698818) is N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(Cc1ccccc1)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is QMZBGNFMJWNZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-19(13-14-8-4-3-5-9-14)18(20)17-12-15-10-6-7-11-16(15)21-17/h3-11,17H,2,12-13H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110698818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).