2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide

C16H23N3O — CID 102913404

IUPAC2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc2cccc(CN)c21
InChIInChI=1S/C16H23N3O/c1-3-5-12(2)18-15(20)11-19-9-8-13-6-4-7-14(10-17)16(13)19/h4,6-9,12H,3,5,10-11,17H2,1-2H3,(H,18,20)
InChIKeyRFGZOUYUJXABSU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.40
Rot. Bonds6

About 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide

2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 102913404) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide
PubChem CID102913404
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc2cccc(CN)c21
InChIInChI=1S/C16H23N3O/c1-3-5-12(2)18-15(20)11-19-9-8-13-6-4-7-14(10-17)16(13)19/h4,6-9,12H,3,5,10-11,17H2,1-2H3,(H,18,20)
InChIKeyRFGZOUYUJXABSU-UHFFFAOYSA-N
XLogP2.40
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
CID 102913711
2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 102913543
2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102912115
N-butyl-2-(7-ethylindol-1-yl)acetamide
CID 116618934
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
CID 61490204
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
2-[3-(aminomethyl)pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 66408404
2-(7-methoxyindol-1-yl)-N-[(2S)-5-phenylpentan-2-yl]acetamide
CID 97161769
2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-N-pentan-2-ylacetamide
CID 79102365

Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide (CID 102913404) is 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ccc2cccc(CN)c21.
What is the InChIKey of 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is RFGZOUYUJXABSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-5-12(2)18-15(20)11-19-9-8-13-6-4-7-14(10-17)16(13)19/h4,6-9,12H,3,5,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide?
2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 273.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 102913404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).