N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide

C23H24N2O4 — CID 110623518

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1
InChIInChI=1S/C23H24N2O4/c1-29-19-8-5-16(6-9-19)21(26)10-11-22(27)24-18-7-4-15-12-13-25(20(15)14-18)23(28)17-2-3-17/h4-9,14,17H,2-3,10-13H2,1H3,(H,24,27)
InChIKeyYGOCOORDLMKBMH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.60
Rot. Bonds7

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 110623518) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID110623518
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1
InChIInChI=1S/C23H24N2O4/c1-29-19-8-5-16(6-9-19)21(26)10-11-22(27)24-18-7-4-15-12-13-25(20(15)14-18)23(28)17-2-3-17/h4-9,14,17H,2-3,10-13H2,1H3,(H,24,27)
InChIKeyYGOCOORDLMKBMH-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110303950
3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180
N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110627267
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylsulfonylpropanamide
CID 110623335
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
3-(4-methoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27604553
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 7586187
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea
CID 110303954
4-(4-methoxyphenyl)-4-oxo-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]butanamide
CID 110633790

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide (CID 110623518) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)N(C(=O)C2CC2)CC3)cc1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is YGOCOORDLMKBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-29-19-8-5-16(6-9-19)21(26)10-11-22(27)24-18-7-4-15-12-13-25(20(15)14-18)23(28)17-2-3-17/h4-9,14,17H,2-3,10-13H2,1H3,(H,24,27).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 392.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110623518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).