N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide

C15H28N2O2 — CID 103161312

IUPACN-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide
SMILESCCOC1CC(CC(=O)N(C)C2CCC(N)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-19-14-8-11(9-14)10-15(18)17(2)13-6-4-12(16)5-7-13/h11-14H,3-10,16H2,1-2H3
InChIKeySRUGRYGSZGEHCJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.92
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide

N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide (PubChem CID 103161312) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide
PubChem CID103161312
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide
SMILESCCOC1CC(CC(=O)N(C)C2CCC(N)CC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-19-14-8-11(9-14)10-15(18)17(2)13-6-4-12(16)5-7-13/h11-14H,3-10,16H2,1-2H3
InChIKeySRUGRYGSZGEHCJ-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide (CID 103161312) is N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide is CCOC1CC(CC(=O)N(C)C2CCC(N)CC2)C1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide?
The InChIKey is SRUGRYGSZGEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-19-14-8-11(9-14)10-15(18)17(2)13-6-4-12(16)5-7-13/h11-14H,3-10,16H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide?
N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide has a molecular weight of 268.40 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(3-ethoxycyclobutyl)-N-methylacetamide is sourced from PubChem (CID 103161312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).