2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

C19H20N2O5 — CID 175749947

IUPAC2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc2c1OC(c1cccc(OCCO)c1)C2
InChIInChI=1S/C19H20N2O5/c1-21-19(24)15-9-13(18(20)23)7-12-10-16(26-17(12)15)11-3-2-4-14(8-11)25-6-5-22/h2-4,7-9,16,22H,5-6,10H2,1H3,(H2,20,23)(H,21,24)
InChIKeySIASCIZMVGPWGD-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.19
Rot. Bonds6

About 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (PubChem CID 175749947) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
PubChem CID175749947
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(N)=O)cc2c1OC(c1cccc(OCCO)c1)C2
InChIInChI=1S/C19H20N2O5/c1-21-19(24)15-9-13(18(20)23)7-12-10-16(26-17(12)15)11-3-2-4-14(8-11)25-6-5-22/h2-4,7-9,16,22H,5-6,10H2,1H3,(H2,20,23)(H,21,24)
InChIKeySIASCIZMVGPWGD-UHFFFAOYSA-N
XLogP1.19
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-7-(methylcarbamoyl)-3-(3-propoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 145379734
2-amino-5-(2-hydroxyethoxy)-N-methylbenzamide
CID 70096875
(2S)-3-[3-(2-hydroxyethoxy)phenyl]-7-N,2-dimethyl-5-N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 146320585
N-[(2R,4R,4aS,8aR)-2-[3-(2-hydroxyethoxy)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]benzamide
CID 110152953
3-(3-fluorophenyl)-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 175707388
(3S)-2-(hydroxymethyl)-3-(3-methoxyphenyl)-7-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 138654976
2-[3-(oxan-4-yl)phenoxy]ethanol
CID 115033332
5-N-(4-aminocyclohexyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676861
4-amino-N-[(E)-[3-(2-hydroxyethoxy)phenyl]methylideneamino]benzamide
CID 143915678
3-propoxybenzamide
CID 22311435
3-amino-N-methyl-4-[2-(3-methylphenoxy)ethoxy]benzamide
CID 82070425
4-amino-5-(2-hydroxyethoxy)-N-methyl-2-(4-methylpiperazin-1-yl)benzamide
CID 164563637

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (CID 175749947) is 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(N)=O)cc2c1OC(c1cccc(OCCO)c1)C2.
What is the InChIKey of 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The InChIKey is SIASCIZMVGPWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-21-19(24)15-9-13(18(20)23)7-12-10-16(26-17(12)15)11-3-2-4-14(8-11)25-6-5-22/h2-4,7-9,16,22H,5-6,10H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethoxy)phenyl]-7-N-methyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 175749947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).