N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide

C16H24N2O2 — CID 66195481

IUPACN-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide
SMILESCCOC1CC(N)C1NC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24N2O2/c1-5-20-13-8-12(17)15(13)18-16(19)14-10(3)6-9(2)7-11(14)4/h6-7,12-13,15H,5,8,17H2,1-4H3,(H,18,19)
InChIKeyZJNCJQJEOGHLCY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.85
Rot. Bonds4

About N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide

N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide (PubChem CID 66195481) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide
PubChem CID66195481
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide
SMILESCCOC1CC(N)C1NC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H24N2O2/c1-5-20-13-8-12(17)15(13)18-16(19)14-10(3)6-9(2)7-11(14)4/h6-7,12-13,15H,5,8,17H2,1-4H3,(H,18,19)
InChIKeyZJNCJQJEOGHLCY-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide (CID 66195481) is N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide is CCOC1CC(N)C1NC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide?
The InChIKey is ZJNCJQJEOGHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-20-13-8-12(17)15(13)18-16(19)14-10(3)6-9(2)7-11(14)4/h6-7,12-13,15H,5,8,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide?
N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 66195481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).