N-butyl-2-(7-ethylindol-1-yl)acetamide

C16H22N2O — CID 116618934

IUPACN-butyl-2-(7-ethylindol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccc2cccc(CC)c21
InChIInChI=1S/C16H22N2O/c1-3-5-10-17-15(19)12-18-11-9-14-8-6-7-13(4-2)16(14)18/h6-9,11H,3-5,10,12H2,1-2H3,(H,17,19)
InChIKeyYXBHGXBFLYOHOR-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.12
Rot. Bonds6

About N-butyl-2-(7-ethylindol-1-yl)acetamide

N-butyl-2-(7-ethylindol-1-yl)acetamide (PubChem CID 116618934) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-butyl-2-(7-ethylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(7-ethylindol-1-yl)acetamide
PubChem CID116618934
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-butyl-2-(7-ethylindol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ccc2cccc(CC)c21
InChIInChI=1S/C16H22N2O/c1-3-5-10-17-15(19)12-18-11-9-14-8-6-7-13(4-2)16(14)18/h6-9,11H,3-5,10,12H2,1-2H3,(H,17,19)
InChIKeyYXBHGXBFLYOHOR-UHFFFAOYSA-N
XLogP3.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
N-butyl-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15998064
2-[7-(aminomethyl)indol-1-yl]-N-pentan-2-ylacetamide
CID 102913404
2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102912115
N-cyclopropyl-2-[7-(propylaminomethyl)indol-1-yl]acetamide
CID 102914268
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
2-[7-(aminomethyl)indol-1-yl]-N-propan-2-ylacetamide
CID 102913711
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
N-(2-methoxyethyl)-2-(7-methoxyindol-1-yl)acetamide
CID 39315359
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
2-[7-(aminomethyl)indol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 102913543

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(7-ethylindol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(7-ethylindol-1-yl)acetamide (CID 116618934) is N-butyl-2-(7-ethylindol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(7-ethylindol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(7-ethylindol-1-yl)acetamide is CCCCNC(=O)Cn1ccc2cccc(CC)c21.
What is the InChIKey of N-butyl-2-(7-ethylindol-1-yl)acetamide?
The InChIKey is YXBHGXBFLYOHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-5-10-17-15(19)12-18-11-9-14-8-6-7-13(4-2)16(14)18/h6-9,11H,3-5,10,12H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-2-(7-ethylindol-1-yl)acetamide?
N-butyl-2-(7-ethylindol-1-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(7-ethylindol-1-yl)acetamide is sourced from PubChem (CID 116618934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).