methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate

C26H32N2O4 — CID 10071716

IUPACmethyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate
SMILESCCCn1cc(Cc2ccc(C(=O)OC)cc2OC)c2cc(C(=O)NCC(C)C)ccc21
InChIInChI=1S/C26H32N2O4/c1-6-11-28-16-21(12-18-7-8-20(26(30)32-5)14-24(18)31-4)22-13-19(9-10-23(22)28)25(29)27-15-17(2)3/h7-10,13-14,16-17H,6,11-12,15H2,1-5H3,(H,27,29)
InChIKeyBBUXLDCTAQVSPF-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.82
Rot. Bonds9

About methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate

methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate (PubChem CID 10071716) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate
PubChem CID10071716
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Namemethyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate
SMILESCCCn1cc(Cc2ccc(C(=O)OC)cc2OC)c2cc(C(=O)NCC(C)C)ccc21
InChIInChI=1S/C26H32N2O4/c1-6-11-28-16-21(12-18-7-8-20(26(30)32-5)14-24(18)31-4)22-13-19(9-10-23(22)28)25(29)27-15-17(2)3/h7-10,13-14,16-17H,6,11-12,15H2,1-5H3,(H,27,29)
InChIKeyBBUXLDCTAQVSPF-UHFFFAOYSA-N
XLogP4.82
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 3-methoxy-4-[[1-methyl-5-(2-methyloctylcarbamoyl)indol-3-yl]methyl]benzoate
CID 10412800
2-[hydroxy-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propylindol-5-yl]methyl]butanoic acid
CID 19870602
methyl 3-methoxy-4-[[5-[4-oxo-4-(propylamino)butyl]-1-propylindol-3-yl]methyl]benzoate
CID 14882666
3-methoxy-4-[[1-methyl-5-(2-methylpentylcarbamoyl)indol-3-yl]methyl]benzoic acid
CID 10002359
methyl 4-[[5-[4-(dimethylamino)-4-oxobut-1-enyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoate
CID 67834722
methyl 4-[[5-[hydroxy-(1-methyl-2-oxopyrrolidin-3-yl)methyl]-1-propylindol-3-yl]methyl]-3-methoxybenzoate
CID 57102493
3-methoxy-4-[[5-[(2S)-2-methyl-3-oxo-3-(propylamino)propyl]-1-propylindol-3-yl]methyl]benzoic acid
CID 67835013
methyl 3-[(4-carbonochloridoyl-2-methoxyphenyl)methyl]-1-methylindole-5-carboxylate
CID 19011120
2-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propylindol-5-yl]-5-oxooxolane-3-carboxylic acid
CID 19870632
4-[[5-(2-ethylbutylcarbamoyl)-1-propan-2-ylindol-3-yl]methyl]-3-methoxybenzoic acid
CID 10411489
methyl 4-[2-[5-[1-hydroxy-2-(propylcarbamoyl)butyl]-1-propylindol-3-yl]ethyl]-3-methoxybenzoate
CID 67834963
methyl 4-[[5-(cyclopentyloxycarbonylamino)-1-(3-methylbutyl)indol-3-yl]methyl]-3-methoxybenzoate
CID 23365903

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate?
The IUPAC name of methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate (CID 10071716) is methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate is CCCn1cc(Cc2ccc(C(=O)OC)cc2OC)c2cc(C(=O)NCC(C)C)ccc21.
What is the InChIKey of methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate?
The InChIKey is BBUXLDCTAQVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-6-11-28-16-21(12-18-7-8-20(26(30)32-5)14-24(18)31-4)22-13-19(9-10-23(22)28)25(29)27-15-17(2)3/h7-10,13-14,16-17H,6,11-12,15H2,1-5H3,(H,27,29).
What are the key properties of methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate?
methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate has a molecular weight of 436.55 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[[5-(2-methylpropylcarbamoyl)-1-propylindol-3-yl]methyl]benzoate is sourced from PubChem (CID 10071716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).