3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide

C27H28N2O2 — CID 4616418

IUPAC3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C27H28N2O2/c1-2-31-24-15-12-21(13-16-24)18-28-27(30)17-14-23-20-29(19-22-8-4-3-5-9-22)26-11-7-6-10-25(23)26/h3-13,15-16,20H,2,14,17-19H2,1H3,(H,28,30)
InChIKeyVCQVDTIOWJKXGO-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.34
Rot. Bonds9

About 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide

3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide (PubChem CID 4616418) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
PubChem CID4616418
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCc2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C27H28N2O2/c1-2-31-24-15-12-21(13-16-24)18-28-27(30)17-14-23-20-29(19-22-8-4-3-5-9-22)26-11-7-6-10-25(23)26/h3-13,15-16,20H,2,14,17-19H2,1H3,(H,28,30)
InChIKeyVCQVDTIOWJKXGO-UHFFFAOYSA-N
XLogP5.34
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 4247196
N-[2-(3,4-diethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899940
3-(1-benzylindol-3-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 5059595
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903
2-(1-benzylindol-3-yl)-N-methylacetamide
CID 13010553
3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 20900099
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 20899943
N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899803

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide (CID 4616418) is 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide is CCOc1ccc(CNC(=O)CCc2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide?
The InChIKey is VCQVDTIOWJKXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-2-31-24-15-12-21(13-16-24)18-28-27(30)17-14-23-20-29(19-22-8-4-3-5-9-22)26-11-7-6-10-25(23)26/h3-13,15-16,20H,2,14,17-19H2,1H3,(H,28,30).
What are the key properties of 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide?
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide has a molecular weight of 412.53 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 4616418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).