4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide

C28H30N2O4 — CID 154872547

IUPAC4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cc1OCC
InChIInChI=1S/C28H30N2O4/c1-3-33-26-15-9-21(19-27(26)34-4-2)25(31)14-16-28(32)29-22-10-12-23(13-11-22)30-18-17-20-7-5-6-8-24(20)30/h5-13,15,19H,3-4,14,16-18H2,1-2H3,(H,29,32)
InChIKeyKWYFHYVFRPYKJN-UHFFFAOYSA-N
MW458.56 g/mol
LogP5.78
Rot. Bonds10

About 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide

4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide (PubChem CID 154872547) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide
PubChem CID154872547
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cc1OCC
InChIInChI=1S/C28H30N2O4/c1-3-33-26-15-9-21(19-27(26)34-4-2)25(31)14-16-28(32)29-22-10-12-23(13-11-22)30-18-17-20-7-5-6-8-24(20)30/h5-13,15,19H,3-4,14,16-18H2,1-2H3,(H,29,32)
InChIKeyKWYFHYVFRPYKJN-UHFFFAOYSA-N
XLogP5.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-ethylbutanamide
CID 112986176
[2-(3,4-diethoxyanilino)-2-oxoethyl]-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylazanium
CID 8818636
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 31009996
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3,4-diethoxybenzamide
CID 17320225
5-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109197830
N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 46801791
4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide
CID 46210565
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553200
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 112986190
N-(4-ethoxyphenyl)-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344890
N-[4-(2,3-dihydroindol-1-yl)phenyl]cyclobutanecarboxamide
CID 112986213

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide (CID 154872547) is 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CCc4ccccc43)cc2)cc1OCC.
What is the InChIKey of 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide?
The InChIKey is KWYFHYVFRPYKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-3-33-26-15-9-21(19-27(26)34-4-2)25(31)14-16-28(32)29-22-10-12-23(13-11-22)30-18-17-20-7-5-6-8-24(20)30/h5-13,15,19H,3-4,14,16-18H2,1-2H3,(H,29,32).
What are the key properties of 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide?
4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide has a molecular weight of 458.56 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 154872547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).