3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide

C24H30N2O — CID 68873887

IUPAC3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide
SMILESCN1CC(C)(C)c2ccc(NC(=O)C=Cc3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C24H30N2O/c1-23(2,3)18-10-7-17(8-11-18)9-14-22(27)25-19-12-13-20-21(15-19)26(6)16-24(20,4)5/h7-15H,16H2,1-6H3,(H,25,27)
InChIKeyLONLYYLOQNVGIH-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.36
Rot. Bonds3

About 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide

3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide (PubChem CID 68873887) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide
PubChem CID68873887
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide
SMILESCN1CC(C)(C)c2ccc(NC(=O)C=Cc3ccc(C(C)(C)C)cc3)cc21
InChIInChI=1S/C24H30N2O/c1-23(2,3)18-10-7-17(8-11-18)9-14-22(27)25-19-12-13-20-21(15-19)26(6)16-24(20,4)5/h7-15H,16H2,1-6H3,(H,25,27)
InChIKeyLONLYYLOQNVGIH-UHFFFAOYSA-N
XLogP5.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-tert-butylphenyl)-N-(2-formyl-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)prop-2-enamide
CID 89153226
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
3-(4-tert-butylphenyl)-N-quinoxalin-6-ylprop-2-enamide
CID 68870920
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
(E)-3-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6005295
5-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]-2-chloro-N-methylbenzamide
CID 52666266
(E)-N-(4-tert-butylphenyl)-3-(4-methylsulfonylphenyl)prop-2-enamide
CID 6139845
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide (CID 68873887) is 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide is CN1CC(C)(C)c2ccc(NC(=O)C=Cc3ccc(C(C)(C)C)cc3)cc21.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide?
The InChIKey is LONLYYLOQNVGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-23(2,3)18-10-7-17(8-11-18)9-14-22(27)25-19-12-13-20-21(15-19)26(6)16-24(20,4)5/h7-15H,16H2,1-6H3,(H,25,27).
What are the key properties of 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide?
3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide has a molecular weight of 362.52 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(1,3,3-trimethyl-2H-indol-6-yl)prop-2-enamide is sourced from PubChem (CID 68873887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).