N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide

C17H25N3O — CID 102916733

IUPACN-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCNCc1ccc2ccn(CC(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C17H25N3O/c1-5-18-11-13-6-7-14-8-9-20(15(14)10-13)12-16(21)19-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3,(H,19,21)
InChIKeyZDHQXYPQBJKLEC-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.67
Rot. Bonds5

About N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide

N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide (PubChem CID 102916733) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
PubChem CID102916733
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
SMILESCCNCc1ccc2ccn(CC(=O)NC(C)(C)C)c2c1
InChIInChI=1S/C17H25N3O/c1-5-18-11-13-6-7-14-8-9-20(15(14)10-13)12-16(21)19-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3,(H,19,21)
InChIKeyZDHQXYPQBJKLEC-UHFFFAOYSA-N
XLogP2.67
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916722
N-cyclopropyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916690
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102913346
2-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742
N-cyclopropyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915871
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide (CID 102916733) is N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide is CCNCc1ccc2ccn(CC(=O)NC(C)(C)C)c2c1.
What is the InChIKey of N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide?
The InChIKey is ZDHQXYPQBJKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-11-13-6-7-14-8-9-20(15(14)10-13)12-16(21)19-17(2,3)4/h6-10,18H,5,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide?
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide is sourced from PubChem (CID 102916733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).