4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide

C25H32N2O2 — CID 42806233

IUPAC4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2c(OCC)cccc2n1C(C)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-4-6-7-11-17-26-25(28)23-18-21-22(15-12-16-24(21)29-5-2)27(23)19(3)20-13-9-8-10-14-20/h8-10,12-16,18-19H,4-7,11,17H2,1-3H3,(H,26,28)
InChIKeyQFKSEACTFJCASP-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.96
Rot. Bonds10

About 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide

4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide (PubChem CID 42806233) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide
PubChem CID42806233
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2c(OCC)cccc2n1C(C)c1ccccc1
InChIInChI=1S/C25H32N2O2/c1-4-6-7-11-17-26-25(28)23-18-21-22(15-12-16-24(21)29-5-2)27(23)19(3)20-13-9-8-10-14-20/h8-10,12-16,18-19H,4-7,11,17H2,1-3H3,(H,26,28)
InChIKeyQFKSEACTFJCASP-UHFFFAOYSA-N
XLogP5.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
CID 42804017
N-butyl-4-methoxy-1-pyrimidin-2-ylindole-2-carboxamide
CID 122377454
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-butyl-1-[(2-methylphenyl)methyl]-4-prop-2-enoxyindole-2-carboxamide
CID 42667169
N-octyl-1-pyrimidin-2-ylindole-2-carboxamide
CID 142734736
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846855
N-dodecyl-2,2-diphenylacetamide
CID 5143289
1-benzhydryl-3-octadecylurea
CID 142646590
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 46421326
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
ethyl 4-[[2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carbonyl]amino]butanoate
CID 78852531

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide?
The IUPAC name of 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide (CID 42806233) is 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide.
What is the SMILES notation for 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide?
The canonical SMILES for 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide is CCCCCCNC(=O)c1cc2c(OCC)cccc2n1C(C)c1ccccc1.
What is the InChIKey of 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide?
The InChIKey is QFKSEACTFJCASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-6-7-11-17-26-25(28)23-18-21-22(15-12-16-24(21)29-5-2)27(23)19(3)20-13-9-8-10-14-20/h8-10,12-16,18-19H,4-7,11,17H2,1-3H3,(H,26,28).
What are the key properties of 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide?
4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-hexyl-1-(1-phenylethyl)indole-2-carboxamide is sourced from PubChem (CID 42806233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).