[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

C24H28N2O4 — CID 7659253

IUPAC[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H28N2O4/c1-3-29-20-13-11-18(12-14-20)16-26(2)23(27)17-30-24(28)10-6-7-19-15-25-22-9-5-4-8-21(19)22/h4-5,8-9,11-15,25H,3,6-7,10,16-17H2,1-2H3
InChIKeyGRRSYMRNHOZILY-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.09
Rot. Bonds10

About [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate

[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 7659253) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID7659253
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
SMILESCCOc1ccc(CN(C)C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H28N2O4/c1-3-29-20-13-11-18(12-14-20)16-26(2)23(27)17-30-24(28)10-6-7-19-15-25-22-9-5-4-8-21(19)22/h4-5,8-9,11-15,25H,3,6-7,10,16-17H2,1-2H3
InChIKeyGRRSYMRNHOZILY-UHFFFAOYSA-N
XLogP4.09
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 9016493
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 55304114
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
4-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 31284992
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647
2-(4-chlorophenoxy)-N-(1H-indol-3-ylmethyl)-N-methylacetamide
CID 110733008

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate (CID 7659253) is [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is CCOc1ccc(CN(C)C(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is GRRSYMRNHOZILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-29-20-13-11-18(12-14-20)16-26(2)23(27)17-30-24(28)10-6-7-19-15-25-22-9-5-4-8-21(19)22/h4-5,8-9,11-15,25H,3,6-7,10,16-17H2,1-2H3.
What are the key properties of [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate?
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 408.50 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 7659253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).