N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide

C11H18N2O2 — CID 103520342

IUPACN-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOC1(CC(=O)N(C)CCC#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-13(8-4-7-12)10(14)9-11(15-2)5-3-6-11/h3-6,8-9H2,1-2H3
InChIKeyBDIDUSHAHDLRDF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.32
Rot. Bonds5

About N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide

N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide (PubChem CID 103520342) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
PubChem CID103520342
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOC1(CC(=O)N(C)CCC#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-13(8-4-7-12)10(14)9-11(15-2)5-3-6-11/h3-6,8-9H2,1-2H3
InChIKeyBDIDUSHAHDLRDF-UHFFFAOYSA-N
XLogP1.32
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide (CID 103520342) is N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide is COC1(CC(=O)N(C)CCC#N)CCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The InChIKey is BDIDUSHAHDLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13(8-4-7-12)10(14)9-11(15-2)5-3-6-11/h3-6,8-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide has a molecular weight of 210.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide is sourced from PubChem (CID 103520342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).