ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate

C27H25NO5 — CID 18995255

IUPACethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate
SMILESCCOC(=O)CC(=O)Cc1c(C)n(C(=O)c2ccc3ccccc3c2)c2ccc(OC)cc12
InChIInChI=1S/C27H25NO5/c1-4-33-26(30)15-21(29)14-23-17(2)28(25-12-11-22(32-3)16-24(23)25)27(31)20-10-9-18-7-5-6-8-19(18)13-20/h5-13,16H,4,14-15H2,1-3H3
InChIKeyIVCVBLMZDIEPNP-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.86
Rot. Bonds7

About ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate

ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate (PubChem CID 18995255) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate
PubChem CID18995255
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Nameethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate
SMILESCCOC(=O)CC(=O)Cc1c(C)n(C(=O)c2ccc3ccccc3c2)c2ccc(OC)cc12
InChIInChI=1S/C27H25NO5/c1-4-33-26(30)15-21(29)14-23-17(2)28(25-12-11-22(32-3)16-24(23)25)27(31)20-10-9-18-7-5-6-8-19(18)13-20/h5-13,16H,4,14-15H2,1-3H3
InChIKeyIVCVBLMZDIEPNP-UHFFFAOYSA-N
XLogP4.86
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558
2-(2-nitrooxyethyldisulfanyl)ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-3-oxobutanoate
CID 58607919
ethyl 4-[5-methoxy-1-(4-methoxybenzoyl)-2-methylindol-3-yl]-2-oxobutanoate
CID 18995222
ethyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoate
CID 13217476
copper bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate)
CID 11848850
bis(2-[2-(1-benzoyl-5-methoxy-2-methylindol-3-yl)acetyl]oxyacetate);ruthenium(2+)
CID 11848852
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 2378303
(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
(2-amino-2-oxo-1-phenylethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 16596434
2-[1-(4-butoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11395329
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
N'-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanehydrazide
CID 2476194

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate?
The IUPAC name of ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate (CID 18995255) is ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate.
What is the SMILES notation for ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate?
The canonical SMILES for ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate is CCOC(=O)CC(=O)Cc1c(C)n(C(=O)c2ccc3ccccc3c2)c2ccc(OC)cc12.
What is the InChIKey of ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate?
The InChIKey is IVCVBLMZDIEPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-4-33-26(30)15-21(29)14-23-17(2)28(25-12-11-22(32-3)16-24(23)25)27(31)20-10-9-18-7-5-6-8-19(18)13-20/h5-13,16H,4,14-15H2,1-3H3.
What are the key properties of ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate?
ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate has a molecular weight of 443.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-methoxy-2-methyl-1-(naphthalene-2-carbonyl)indol-3-yl]-3-oxobutanoate is sourced from PubChem (CID 18995255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).