[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone

C23H26N2O4 — CID 23611477

IUPAC[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(-n2c(C)c(C(=O)N3CCOCC3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C23H26N2O4/c1-4-29-18-7-5-17(6-8-18)25-16(2)22(23(26)24-11-13-28-14-12-24)20-15-19(27-3)9-10-21(20)25/h5-10,15H,4,11-14H2,1-3H3
InChIKeyHJWIOTONNLQESI-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.82
Rot. Bonds5

About [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone

[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone (PubChem CID 23611477) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone
PubChem CID23611477
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(-n2c(C)c(C(=O)N3CCOCC3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C23H26N2O4/c1-4-29-18-7-5-17(6-8-18)25-16(2)22(23(26)24-11-13-28-14-12-24)20-15-19(27-3)9-10-21(20)25/h5-10,15H,4,11-14H2,1-3H3
InChIKeyHJWIOTONNLQESI-UHFFFAOYSA-N
XLogP3.82
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
CID 17138681
ethyl 5-(2-ethoxy-2-oxoethoxy)-1-(4-ethoxyphenyl)-2-methylindole-3-carboxylate
CID 1038232
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate
CID 19238131
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-prop-2-enoxyindole-3-carboxylate
CID 2076805
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] acetate
CID 711025
1-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxylic acid
CID 169084484
1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone
CID 645048
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-[(4-propan-2-yloxycarbonylphenyl)methoxy]indole-3-carboxylate
CID 2076807
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone
CID 138386675
6-ethoxy-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylquinolin-4-one
CID 30134004
2-[1-(4-ethoxybenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
CID 11245558

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone (CID 23611477) is [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone is CCOc1ccc(-n2c(C)c(C(=O)N3CCOCC3)c3cc(OC)ccc32)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is HJWIOTONNLQESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-29-18-7-5-17(6-8-18)25-16(2)22(23(26)24-11-13-28-14-12-24)20-15-19(27-3)9-10-21(20)25/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone?
[1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 394.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-5-methoxy-2-methylindol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 23611477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).