ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate

C22H27NO4 — CID 153360813

IUPACethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate
SMILESCC.CCC(=O)N1CCc2cc(-c3ccc(C(=O)OC)c(OC)c3)ccc21
InChIInChI=1S/C20H21NO4.C2H6/c1-4-19(22)21-10-9-15-11-13(6-8-17(15)21)14-5-7-16(20(23)25-3)18(12-14)24-2;1-2/h5-8,11-12H,4,9-10H2,1-3H3;1-2H3
InChIKeyJGCOHNZDGBRNJN-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.47
Rot. Bonds4

About ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate

ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate (PubChem CID 153360813) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate.

Molecular Properties

Compound Nameethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate
PubChem CID153360813
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate
SMILESCC.CCC(=O)N1CCc2cc(-c3ccc(C(=O)OC)c(OC)c3)ccc21
InChIInChI=1S/C20H21NO4.C2H6/c1-4-19(22)21-10-9-15-11-13(6-8-17(15)21)14-5-7-16(20(23)25-3)18(12-14)24-2;1-2/h5-8,11-12H,4,9-10H2,1-3H3;1-2H3
InChIKeyJGCOHNZDGBRNJN-UHFFFAOYSA-N
XLogP4.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
2-methoxy-4-(1-prop-1-ynyl-2,3-dihydroindol-5-yl)benzoic acid
CID 156653578
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
N-(2-piperidin-1-ylethyl)-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109848
3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 53377425
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047894
3-(3-fluorophenyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 167657587
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate
CID 148529409

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate?
The IUPAC name of ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate (CID 153360813) is ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate.
What is the SMILES notation for ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate?
The canonical SMILES for ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate is CC.CCC(=O)N1CCc2cc(-c3ccc(C(=O)OC)c(OC)c3)ccc21.
What is the InChIKey of ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate?
The InChIKey is JGCOHNZDGBRNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4.C2H6/c1-4-19(22)21-10-9-15-11-13(6-8-17(15)21)14-5-7-16(20(23)25-3)18(12-14)24-2;1-2/h5-8,11-12H,4,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate?
ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate has a molecular weight of 369.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate is sourced from PubChem (CID 153360813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).