3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride

C18H21ClN2O3 — CID 119697413

IUPAC3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
SMILESCCOc1cc2c(cc1NC(=O)c1cccc(N)c1)OC(C)C2.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-3-22-17-9-13-7-11(2)23-16(13)10-15(17)20-18(21)12-5-4-6-14(19)8-12;/h4-6,8-11H,3,7,19H2,1-2H3,(H,20,21);1H
InChIKeyBHANRLMYVKMRQY-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.66
Rot. Bonds4

About 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride

3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride (PubChem CID 119697413) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
PubChem CID119697413
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
SMILESCCOc1cc2c(cc1NC(=O)c1cccc(N)c1)OC(C)C2.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-3-22-17-9-13-7-11(2)23-16(13)10-15(17)20-18(21)12-5-4-6-14(19)8-12;/h4-6,8-11H,3,7,19H2,1-2H3,(H,20,21);1H
InChIKeyBHANRLMYVKMRQY-UHFFFAOYSA-N
XLogP3.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methoxybenzamide
CID 17417438
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-nitrobenzamide
CID 41156153
4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697401
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27901598
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
CID 60584787
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-4-nitrobenzamide
CID 9451778
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid
CID 166295819
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzamide
CID 32765766
tert-butyl N-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]phenyl]carbamate
CID 55454285
3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride
CID 120608429

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride (CID 119697413) is 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride is CCOc1cc2c(cc1NC(=O)c1cccc(N)c1)OC(C)C2.Cl.
What is the InChIKey of 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride?
The InChIKey is BHANRLMYVKMRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.ClH/c1-3-22-17-9-13-7-11(2)23-16(13)10-15(17)20-18(21)12-5-4-6-14(19)8-12;/h4-6,8-11H,3,7,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride?
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride is sourced from PubChem (CID 119697413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).