methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate

C26H31N3O5 — CID 19995010

IUPACmethyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cn(C)c3ccc(CCNC(=O)N4CCOCC4)cc23)c(OC)c1
InChIInChI=1S/C26H31N3O5/c1-28-17-21(15-19-5-6-20(25(30)33-3)16-24(19)32-2)22-14-18(4-7-23(22)28)8-9-27-26(31)29-10-12-34-13-11-29/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,27,31)
InChIKeySXBWSSHLPIHFHT-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.15
Rot. Bonds7

About methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate

methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate (PubChem CID 19995010) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate
PubChem CID19995010
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Namemethyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cc2cn(C)c3ccc(CCNC(=O)N4CCOCC4)cc23)c(OC)c1
InChIInChI=1S/C26H31N3O5/c1-28-17-21(15-19-5-6-20(25(30)33-3)16-24(19)32-2)22-14-18(4-7-23(22)28)8-9-27-26(31)29-10-12-34-13-11-29/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,27,31)
InChIKeySXBWSSHLPIHFHT-UHFFFAOYSA-N
XLogP3.15
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 3-[(4-carbonochloridoyl-2-methoxyphenyl)methyl]-1-methylindole-5-carboxylate
CID 19011120
methyl 3-methoxy-4-[[5-[4-oxo-4-(propylamino)butyl]-1-propylindol-3-yl]methyl]benzoate
CID 14882666
methyl 3-methoxy-4-[[1-methyl-5-[[1-(2,2,2-trifluoroethyl)cyclopropyl]methylcarbamoyl]indol-3-yl]methyl]benzoate
CID 10435588
3-methoxy-4-[[1-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)methyl]indol-3-yl]methyl]benzoic acid
CID 15006964
methyl 3-methoxy-4-[[1-methyl-5-(pentoxycarbonylamino)indol-3-yl]methyl]benzoate
CID 135051975
methyl 3-methoxy-4-[[1-methyl-5-(2-methyloctylcarbamoyl)indol-3-yl]methyl]benzoate
CID 10412800
N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
CID 34673472
methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate
CID 10071716
1-[2-(2-methoxy-4-methoxycarbonylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123971
3-methoxy-4-[[1-methyl-5-(2-methylpentylcarbamoyl)indol-3-yl]methyl]benzoic acid
CID 10002359
methyl 4-[[5-amino-1-(cyclopropylmethyl)indol-3-yl]methyl]-3-methoxybenzoate
CID 23365878
4-[2-(1,4-oxazepane-4-carbonylamino)ethyl]benzoic acid
CID 62968342

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate?
The IUPAC name of methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate (CID 19995010) is methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate is COC(=O)c1ccc(Cc2cn(C)c3ccc(CCNC(=O)N4CCOCC4)cc23)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate?
The InChIKey is SXBWSSHLPIHFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-28-17-21(15-19-5-6-20(25(30)33-3)16-24(19)32-2)22-14-18(4-7-23(22)28)8-9-27-26(31)29-10-12-34-13-11-29/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,27,31).
What are the key properties of methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate?
methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate has a molecular weight of 465.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[[1-methyl-5-[2-(morpholine-4-carbonylamino)ethyl]indol-3-yl]methyl]benzoate is sourced from PubChem (CID 19995010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).