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

C18H20N2O3 — CID 119697390

IUPAC4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
SMILESCCOc1cc2c(cc1NC(=O)c1ccc(N)cc1)OC(C)C2
InChIInChI=1S/C18H20N2O3/c1-3-22-17-9-13-8-11(2)23-16(13)10-15(17)20-18(21)12-4-6-14(19)7-5-12/h4-7,9-11H,3,8,19H2,1-2H3,(H,20,21)
InChIKeyJSCDXJSDLQYULY-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.24
Rot. Bonds4

About 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide

4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide (PubChem CID 119697390) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
PubChem CID119697390
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
SMILESCCOc1cc2c(cc1NC(=O)c1ccc(N)cc1)OC(C)C2
InChIInChI=1S/C18H20N2O3/c1-3-22-17-9-13-8-11(2)23-16(13)10-15(17)20-18(21)12-4-6-14(19)7-5-12/h4-7,9-11H,3,8,19H2,1-2H3,(H,20,21)
InChIKeyJSCDXJSDLQYULY-UHFFFAOYSA-N
XLogP3.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.24
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

3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
CID 119697413
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]-4-nitrobenzamide
CID 9451778
4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697401
tert-butyl N-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]phenyl]carbamate
CID 55454285
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methoxybenzamide
CID 17417438
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoyl]thiophene-2-carboxylic acid
CID 166295819
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-nitrobenzamide
CID 41156153
4,5-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-2-carboxamide
CID 167829951
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 34167641

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide?
The IUPAC name of 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide (CID 119697390) is 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide.
What is the SMILES notation for 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide?
The canonical SMILES for 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide is CCOc1cc2c(cc1NC(=O)c1ccc(N)cc1)OC(C)C2.
What is the InChIKey of 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide?
The InChIKey is JSCDXJSDLQYULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-22-17-9-13-8-11(2)23-16(13)10-15(17)20-18(21)12-4-6-14(19)7-5-12/h4-7,9-11H,3,8,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide?
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide is sourced from PubChem (CID 119697390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).