2-ethylhexyl N-(2-indol-1-ylethyl)carbamate

C19H28N2O2 — CID 108726422

IUPAC2-ethylhexyl N-(2-indol-1-ylethyl)carbamate
SMILESCCCCC(CC)COC(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-3-5-8-16(4-2)15-23-19(22)20-12-14-21-13-11-17-9-6-7-10-18(17)21/h6-7,9-11,13,16H,3-5,8,12,14-15H2,1-2H3,(H,20,22)
InChIKeyCKQSCAWQCXYKSA-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.58
Rot. Bonds9

About 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate

2-ethylhexyl N-(2-indol-1-ylethyl)carbamate (PubChem CID 108726422) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate.

Molecular Properties

Compound Name2-ethylhexyl N-(2-indol-1-ylethyl)carbamate
PubChem CID108726422
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-ethylhexyl N-(2-indol-1-ylethyl)carbamate
SMILESCCCCC(CC)COC(=O)NCCn1ccc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-3-5-8-16(4-2)15-23-19(22)20-12-14-21-13-11-17-9-6-7-10-18(17)21/h6-7,9-11,13,16H,3-5,8,12,14-15H2,1-2H3,(H,20,22)
InChIKeyCKQSCAWQCXYKSA-UHFFFAOYSA-N
XLogP4.58
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-ethylhexyl N-naphthalen-1-ylcarbamate
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2-ethylhexyl N-(2-methoxyethyl)carbamate
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2-ethylhexyl N-(4-hydroxybutyl)carbamate
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(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
N-(2-indol-1-ylethyl)-4-(2-methylpropoxy)benzamide
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2-ethylpentyl N-benzylcarbamate
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CID 142802450

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate?
The IUPAC name of 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate (CID 108726422) is 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate.
What is the SMILES notation for 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate?
The canonical SMILES for 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate is CCCCC(CC)COC(=O)NCCn1ccc2ccccc21.
What is the InChIKey of 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate?
The InChIKey is CKQSCAWQCXYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-5-8-16(4-2)15-23-19(22)20-12-14-21-13-11-17-9-6-7-10-18(17)21/h6-7,9-11,13,16H,3-5,8,12,14-15H2,1-2H3,(H,20,22).
What are the key properties of 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate?
2-ethylhexyl N-(2-indol-1-ylethyl)carbamate has a molecular weight of 316.44 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-(2-indol-1-ylethyl)carbamate is sourced from PubChem (CID 108726422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).