ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate

C22H23NO4 — CID 10959466

IUPACethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C22H23NO4/c1-3-27-21(24)9-6-14-23-15-19(18-7-4-5-8-20(18)23)22(25)16-10-12-17(26-2)13-11-16/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3
InChIKeyKITRTLWWSWPEHD-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.22
Rot. Bonds8

About ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate

ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate (PubChem CID 10959466) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
PubChem CID10959466
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nameethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate
SMILESCCOC(=O)CCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21
InChIInChI=1S/C22H23NO4/c1-3-27-21(24)9-6-14-23-15-19(18-7-4-5-8-20(18)23)22(25)16-10-12-17(26-2)13-11-16/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3
InChIKeyKITRTLWWSWPEHD-UHFFFAOYSA-N
XLogP4.22
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
1-butyl-3-(4-methoxybenzoyl)quinolin-4-one
CID 23634666
ethyl 4-[3-[4-[1-(4-chlorophenyl)pentoxy]benzoyl]indol-1-yl]butanoate
CID 54278881
ethyl 4-[3-[4-[2,2-bis[4-(2-methylpropyl)phenyl]ethyl]benzoyl]indol-1-yl]butanoate
CID 19024837
ethyl 4-(3-tridecanoylindol-1-yl)butanoate
CID 22400496
ethyl 4-(3-dodecanoylindol-1-yl)butanoate
CID 22400499
(4-methoxyphenyl)-[1-[(Z)-4-phenylbut-3-enyl]indol-3-yl]methanone
CID 122219338
ethyl 4-[3-[4-[1-[4-(2-methylpropyl)phenyl]hexoxy]benzoyl]indol-1-yl]butanoate
CID 10897067
ethyl 4-[3-[4-[1-[4-(2-methylpropyl)phenyl]octoxy]benzoyl]indol-1-yl]butanoate
CID 10864907
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
4-[3-(4-hexoxybenzoyl)indol-1-yl]butanoic acid
CID 54054546
ethyl 4-[3-[4-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentoxy]benzoyl]indol-1-yl]butanoate
CID 54504045

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate?
The IUPAC name of ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate (CID 10959466) is ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate?
The canonical SMILES for ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate is CCOC(=O)CCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc21.
What is the InChIKey of ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate?
The InChIKey is KITRTLWWSWPEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-3-27-21(24)9-6-14-23-15-19(18-7-4-5-8-20(18)23)22(25)16-10-12-17(26-2)13-11-16/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate?
ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate has a molecular weight of 365.43 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methoxybenzoyl)indol-1-yl]butanoate is sourced from PubChem (CID 10959466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).