N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide

C32H46N2O — CID 67830438

IUPACN-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide
SMILESCCCCCCCCCCCCN1c2ccccc2C(C)(C)C1C=CN(C(C)=O)c1ccccc1
InChIInChI=1S/C32H46N2O/c1-5-6-7-8-9-10-11-12-13-19-25-34-30-23-18-17-22-29(30)32(3,4)31(34)24-26-33(27(2)35)28-20-15-14-16-21-28/h14-18,20-24,26,31H,5-13,19,25H2,1-4H3
InChIKeyXTJXZFCMCRROLP-UHFFFAOYSA-N
MW474.73 g/mol
LogP8.64
Rot. Bonds14

About N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide

N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide (PubChem CID 67830438) has the molecular formula C32H46N2O and a molecular weight of 474.73 g/mol. Its IUPAC name is N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide
PubChem CID67830438
Molecular FormulaC32H46N2O
Molecular Weight474.73 g/mol
Exact Mass474.36
IUPAC NameN-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide
SMILESCCCCCCCCCCCCN1c2ccccc2C(C)(C)C1C=CN(C(C)=O)c1ccccc1
InChIInChI=1S/C32H46N2O/c1-5-6-7-8-9-10-11-12-13-19-25-34-30-23-18-17-22-29(30)32(3,4)31(34)24-26-33(27(2)35)28-20-15-14-16-21-28/h14-18,20-24,26,31H,5-13,19,25H2,1-4H3
InChIKeyXTJXZFCMCRROLP-UHFFFAOYSA-N
XLogP8.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.73
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3,3-dimethyl-1-octadecyl-2H-indol-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-octadecylindole
CID 177252397
1,3-bis(1-butyl-3,3-dimethyl-2H-indol-2-yl)propan-2-one
CID 59773729
(2E)-1-butyl-2-[(E)-3-(1-butyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-3,3-dimethylindole
CID 58898863
6-(2,3,3-trimethyl-2H-indol-1-yl)hexanoic acid;hydrobromide
CID 146418024
N-[2-[2-(1-butyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-5-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline
CID 175128070
hexyl 2-(2,3,3-trimethyl-2H-indol-1-yl)acetate;hydrobromide
CID 173098178
3-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-5-(diethylamino)-3,3-dimethyl-2H-indol-1-yl]propan-1-ol
CID 164938741
2,4-bis[(E)-(3,3-dimethyl-1-octadecylindol-2-ylidene)methyl]cyclobutane-1,3-dione
CID 177396907
N-hexyl-N-phenylacetamide
CID 13217997
octyl (2Z,4E)-5-(N-acetylanilino)-2-(trifluoromethyl)penta-2,4-dienoate
CID 143968126
N-[(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-phenylacetamide
CID 5187139
2-bromo-1,3-dihexadecyl-2H-benzimidazole
CID 175104565

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide?
The IUPAC name of N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide (CID 67830438) is N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide.
What is the SMILES notation for N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide?
The canonical SMILES for N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide is CCCCCCCCCCCCN1c2ccccc2C(C)(C)C1C=CN(C(C)=O)c1ccccc1.
What is the InChIKey of N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide?
The InChIKey is XTJXZFCMCRROLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O/c1-5-6-7-8-9-10-11-12-13-19-25-34-30-23-18-17-22-29(30)32(3,4)31(34)24-26-33(27(2)35)28-20-15-14-16-21-28/h14-18,20-24,26,31H,5-13,19,25H2,1-4H3.
What are the key properties of N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide?
N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide has a molecular weight of 474.73 g/mol, XLogP of 8.64, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-dodecyl-3,3-dimethyl-2H-indol-2-yl)ethenyl]-N-phenylacetamide is sourced from PubChem (CID 67830438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).