ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate

C24H25NO6 — CID 18995222

IUPACethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate
SMILESCCOC(=O)C(=O)CCc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc12
InChIInChI=1S/C24H25NO6/c1-5-31-24(28)22(26)13-11-19-15(2)25(21-12-10-18(30-4)14-20(19)21)23(27)16-6-8-17(29-3)9-7-16/h6-10,12,14H,5,11,13H2,1-4H3
InChIKeyYWCDVSBJWRMICE-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.72
Rot. Bonds8

About ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate

ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate (PubChem CID 18995222) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate
PubChem CID18995222
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Nameethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate
SMILESCCOC(=O)C(=O)CCc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc12
InChIInChI=1S/C24H25NO6/c1-5-31-24(28)22(26)13-11-19-15(2)25(21-12-10-18(30-4)14-20(19)21)23(27)16-6-8-17(29-3)9-7-16/h6-10,12,14H,5,11,13H2,1-4H3
InChIKeyYWCDVSBJWRMICE-UHFFFAOYSA-N
XLogP3.72
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-bromobenzoyl)-5-methoxy-2-methylindol-3-yl]butanoic acid
CID 11235754
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
2-[1-[4-(difluoromethoxy)benzoyl]-5-methoxy-2-methylindol-3-yl]acetamide
CID 69485733
2-[1-[4-(2-ethoxyethyl)benzoyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 10157521
ethyl 3-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]propanoate
CID 11417402
2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetaldehyde
CID 118618271
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate
CID 18995255
[3-[2-[di(propan-2-yl)amino]ethyl]-5-methoxy-2-methylindol-1-yl]-phenylmethanone
CID 21313355
azane;bis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate);platinum(4+);dichloride
CID 86298531

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate?
The IUPAC name of ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate (CID 18995222) is ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate.
What is the SMILES notation for ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate?
The canonical SMILES for ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate is CCOC(=O)C(=O)CCc1c(C)n(C(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.
What is the InChIKey of ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate?
The InChIKey is YWCDVSBJWRMICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-5-31-24(28)22(26)13-11-19-15(2)25(21-12-10-18(30-4)14-20(19)21)23(27)16-6-8-17(29-3)9-7-16/h6-10,12,14H,5,11,13H2,1-4H3.
What are the key properties of ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate?
ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate has a molecular weight of 423.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate is sourced from PubChem (CID 18995222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).