2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide

C25H24N2O4 — CID 9094777

IUPAC2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C25H24N2O4/c1-3-27(15-23(28)26-19-8-6-9-20(14-19)30-2)24(29)13-18-16-31-22-12-11-17-7-4-5-10-21(17)25(18)22/h4-12,14,16H,3,13,15H2,1-2H3,(H,26,28)
InChIKeyOBFCVUSABZWVOG-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.62
Rot. Bonds7

About 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide (PubChem CID 9094777) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide
PubChem CID9094777
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C25H24N2O4/c1-3-27(15-23(28)26-19-8-6-9-20(14-19)30-2)24(29)13-18-16-31-22-12-11-17-7-4-5-10-21(17)25(18)22/h4-12,14,16H,3,13,15H2,1-2H3,(H,26,28)
InChIKeyOBFCVUSABZWVOG-UHFFFAOYSA-N
XLogP4.62
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide
CID 26352767
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N,N-diethylbenzamide
CID 34543248
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 40609025
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide (CID 9094777) is 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide?
The InChIKey is OBFCVUSABZWVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-3-27(15-23(28)26-19-8-6-9-20(14-19)30-2)24(29)13-18-16-31-22-12-11-17-7-4-5-10-21(17)25(18)22/h4-12,14,16H,3,13,15H2,1-2H3,(H,26,28).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide has a molecular weight of 416.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 9094777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).