N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide

C18H26N2O2 — CID 101413305

IUPACN-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCCCCN(C(C)=O)C1C(=O)N(C(C)(C)C)c2ccccc21
InChIInChI=1S/C18H26N2O2/c1-6-7-12-19(13(2)21)16-14-10-8-9-11-15(14)20(17(16)22)18(3,4)5/h8-11,16H,6-7,12H2,1-5H3
InChIKeyBVEKGLDNCVALBU-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.52
Rot. Bonds4

About N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide

N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide (PubChem CID 101413305) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide
PubChem CID101413305
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide
SMILESCCCCN(C(C)=O)C1C(=O)N(C(C)(C)C)c2ccccc21
InChIInChI=1S/C18H26N2O2/c1-6-7-12-19(13(2)21)16-14-10-8-9-11-15(14)20(17(16)22)18(3,4)5/h8-11,16H,6-7,12H2,1-5H3
InChIKeyBVEKGLDNCVALBU-UHFFFAOYSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide?
The IUPAC name of N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide (CID 101413305) is N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide.
What is the SMILES notation for N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide?
The canonical SMILES for N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide is CCCCN(C(C)=O)C1C(=O)N(C(C)(C)C)c2ccccc21.
What is the InChIKey of N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide?
The InChIKey is BVEKGLDNCVALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-6-7-12-19(13(2)21)16-14-10-8-9-11-15(14)20(17(16)22)18(3,4)5/h8-11,16H,6-7,12H2,1-5H3.
What are the key properties of N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide?
N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1-tert-butyl-2-oxo-3H-indol-3-yl)acetamide is sourced from PubChem (CID 101413305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).