2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide

C16H22N2O2 — CID 102912115

IUPAC2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1ccc2cccc(CO)c21
InChIInChI=1S/C16H22N2O2/c1-11(2)12(3)17-15(20)9-18-8-7-13-5-4-6-14(10-19)16(13)18/h4-8,11-12,19H,9-10H2,1-3H3,(H,17,20)
InChIKeyKODDSSXMYGNLFZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.29
Rot. Bonds5

About 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide

2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 102912115) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID102912115
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1ccc2cccc(CO)c21
InChIInChI=1S/C16H22N2O2/c1-11(2)12(3)17-15(20)9-18-8-7-13-5-4-6-14(10-19)16(13)18/h4-8,11-12,19H,9-10H2,1-3H3,(H,17,20)
InChIKeyKODDSSXMYGNLFZ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
CID 102913711
2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide
CID 102913404
N-butyl-2-(7-ethylindol-1-yl)acetamide
CID 116618934
[1-(2-methoxypropyl)indol-7-yl]methanol
CID 102912071
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
methyl 3-[7-(hydroxymethyl)indol-1-yl]-2,2-dimethylpropanoate
CID 102912141
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
(1-hept-6-enylindol-7-yl)methanol
CID 107008139

Frequently Asked Questions

What is the IUPAC name of 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide (CID 102912115) is 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1ccc2cccc(CO)c21.
What is the InChIKey of 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is KODDSSXMYGNLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)12(3)17-15(20)9-18-8-7-13-5-4-6-14(10-19)16(13)18/h4-8,11-12,19H,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide?
2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 102912115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).