3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide

C29H31N3O3 — CID 112798004

IUPAC3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C29H31N3O3/c1-34-24-12-8-22(9-13-24)29-26(25-4-2-3-5-27(25)31-29)14-15-28(33)30-23-10-6-21(7-11-23)20-32-16-18-35-19-17-32/h2-13,31H,14-20H2,1H3,(H,30,33)
InChIKeyWELCTCDMWSRKLJ-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.25
Rot. Bonds8

About 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (PubChem CID 112798004) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
PubChem CID112798004
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C29H31N3O3/c1-34-24-12-8-22(9-13-24)29-26(25-4-2-3-5-27(25)31-29)14-15-28(33)30-23-10-6-21(7-11-23)20-32-16-18-35-19-17-32/h2-13,31H,14-20H2,1H3,(H,30,33)
InChIKeyWELCTCDMWSRKLJ-UHFFFAOYSA-N
XLogP5.25
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 34433425
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 26973103
1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 141471155
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 166194187
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 26689901
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 27772937
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 55490748
N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide (CID 112798004) is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
The InChIKey is WELCTCDMWSRKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-34-24-12-8-22(9-13-24)29-26(25-4-2-3-5-27(25)31-29)14-15-28(33)30-23-10-6-21(7-11-23)20-32-16-18-35-19-17-32/h2-13,31H,14-20H2,1H3,(H,30,33).
What are the key properties of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide?
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide has a molecular weight of 469.59 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 112798004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).