2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide

C16H22N2O2 — CID 102913346

IUPAC2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ccc2ccc(CO)cc21
InChIInChI=1S/C16H22N2O2/c1-4-16(2,3)17-15(20)10-18-8-7-13-6-5-12(11-19)9-14(13)18/h5-9,19H,4,10-11H2,1-3H3,(H,17,20)
InChIKeyAYHLQTGJLPDAKE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds5

About 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 102913346) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID102913346
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ccc2ccc(CO)cc21
InChIInChI=1S/C16H22N2O2/c1-4-16(2,3)17-15(20)10-18-8-7-13-6-5-12(11-19)9-14(13)18/h5-9,19H,4,10-11H2,1-3H3,(H,17,20)
InChIKeyAYHLQTGJLPDAKE-UHFFFAOYSA-N
XLogP2.44
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
CID 102913062
N-(2-methylbutan-2-yl)-2-(5-nitroindol-1-yl)acetamide
CID 115596181
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide
CID 102913058
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
tert-butyl 6-(hydroxymethyl)indole-1-carboxylate
CID 23560816
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005

Frequently Asked Questions

What is the IUPAC name of 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 102913346) is 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1ccc2ccc(CO)cc21.
What is the InChIKey of 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is AYHLQTGJLPDAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(2,3)17-15(20)10-18-8-7-13-6-5-12(11-19)9-14(13)18/h5-9,19H,4,10-11H2,1-3H3,(H,17,20).
What are the key properties of 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 102913346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).