3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide

C27H28N2O3 — CID 4616417

IUPAC3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2cn(Cc3ccccc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C27H28N2O3/c1-31-23-14-12-21(26(16-23)32-2)17-28-27(30)15-13-22-19-29(18-20-8-4-3-5-9-20)25-11-7-6-10-24(22)25/h3-12,14,16,19H,13,15,17-18H2,1-2H3,(H,28,30)
InChIKeyRTWTWGWDHIAKJT-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.96
Rot. Bonds9

About 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide

3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 4616417) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide
PubChem CID4616417
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2cn(Cc3ccccc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C27H28N2O3/c1-31-23-14-12-21(26(16-23)32-2)17-28-27(30)15-13-22-19-29(18-20-8-4-3-5-9-20)25-11-7-6-10-24(22)25/h3-12,14,16,19H,13,15,17-18H2,1-2H3,(H,28,30)
InChIKeyRTWTWGWDHIAKJT-UHFFFAOYSA-N
XLogP4.96
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide (CID 4616417) is 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCc2cn(Cc3ccccc3)c3ccccc23)c(OC)c1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is RTWTWGWDHIAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-31-23-14-12-21(26(16-23)32-2)17-28-27(30)15-13-22-19-29(18-20-8-4-3-5-9-20)25-11-7-6-10-24(22)25/h3-12,14,16,19H,13,15,17-18H2,1-2H3,(H,28,30).
What are the key properties of 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide?
3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 428.53 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-[(2,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4616417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).