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

C20H25ClN2O3 — CID 120608429

IUPAC3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride
SMILESCCOc1cc2c(cc1NC(=O)CCc1ccccc1N)OC(C)C2.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-3-24-19-11-15-10-13(2)25-18(15)12-17(19)22-20(23)9-8-14-6-4-5-7-16(14)21;/h4-7,11-13H,3,8-10,21H2,1-2H3,(H,22,23);1H
InChIKeyDHRWAFYVIARTEV-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.98
Rot. Bonds6

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

3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride (PubChem CID 120608429) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride
PubChem CID120608429
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride
SMILESCCOc1cc2c(cc1NC(=O)CCc1ccccc1N)OC(C)C2.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-3-24-19-11-15-10-13(2)25-18(15)12-17(19)22-20(23)9-8-14-6-4-5-7-16(14)21;/h4-7,11-13H,3,8-10,21H2,1-2H3,(H,22,23);1H
InChIKeyDHRWAFYVIARTEV-UHFFFAOYSA-N
XLogP3.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.98
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

5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 39978745
N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55462433
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
CID 119697413
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methoxypropanamide
CID 106112484
N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 42896149
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55461951
(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
CID 79011910
3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoylamino]propanoic acid
CID 122075038
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697410

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride (CID 120608429) is 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride is CCOc1cc2c(cc1NC(=O)CCc1ccccc1N)OC(C)C2.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride?
The InChIKey is DHRWAFYVIARTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-3-24-19-11-15-10-13(2)25-18(15)12-17(19)22-20(23)9-8-14-6-4-5-7-16(14)21;/h4-7,11-13H,3,8-10,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride is sourced from PubChem (CID 120608429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).