2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide

C26H26N2O — CID 134946840

IUPAC2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide
SMILESC=CC[C@]1(CC(=O)Nc2ccccc2)CN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C26H26N2O/c1-2-17-26(18-25(29)27-22-13-7-4-8-14-22)20-28(19-21-11-5-3-6-12-21)24-16-10-9-15-23(24)26/h2-16H,1,17-20H2,(H,27,29)/t26-/m0/s1
InChIKeyZBYUXNSSNCLYBJ-SANMLTNESA-N
MW382.51 g/mol
LogP5.55
Rot. Bonds7

About 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide

2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide (PubChem CID 134946840) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide
PubChem CID134946840
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide
SMILESC=CC[C@]1(CC(=O)Nc2ccccc2)CN(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C26H26N2O/c1-2-17-26(18-25(29)27-22-13-7-4-8-14-22)20-28(19-21-11-5-3-6-12-21)24-16-10-9-15-23(24)26/h2-16H,1,17-20H2,(H,27,29)/t26-/m0/s1
InChIKeyZBYUXNSSNCLYBJ-SANMLTNESA-N
XLogP5.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
CID 53240006
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238
2-benzylsulfanyl-N-phenylacetamide
CID 584914
2-benzyl-4-methyl-4-prop-2-enyl-1H-isoquinolin-3-one
CID 53468157
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
2-benzyl-1,1,3,3-tetrakis(prop-2-enyl)isoindole
CID 68572707
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
CID 69094065
(2S)-1-benzyl-2-methyl-2-prop-2-enylaziridine
CID 101369761
1-benzyl-2'-methylidene-1'-(trifluoromethylsulfonyl)spiro[2H-indole-3,3'-pyrrolidine]
CID 71729113
tert-butyl N-(1-benzyl-2-oxo-3-prop-2-enylindol-3-yl)carbamate
CID 102198631
ethyl (E)-3-(1-benzyl-3-methyl-2H-indol-3-yl)-2-cyanoprop-2-enoate
CID 163482206

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide (CID 134946840) is 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide is C=CC[C@]1(CC(=O)Nc2ccccc2)CN(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide?
The InChIKey is ZBYUXNSSNCLYBJ-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N2O/c1-2-17-26(18-25(29)27-22-13-7-4-8-14-22)20-28(19-21-11-5-3-6-12-21)24-16-10-9-15-23(24)26/h2-16H,1,17-20H2,(H,27,29)/t26-/m0/s1.
What are the key properties of 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide?
2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide has a molecular weight of 382.51 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-benzyl-3-prop-2-enyl-2H-indol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 134946840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).