N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide

C12H20N2O2 — CID 103520329

IUPACN-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide
SMILESCCN(CCC#N)C(=O)CC1(OC)CCC1
InChIInChI=1S/C12H20N2O2/c1-3-14(9-5-8-13)11(15)10-12(16-2)6-4-7-12/h3-7,9-10H2,1-2H3
InChIKeyILRYELURBATDSF-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.71
Rot. Bonds6

About N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide

N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103520329) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide
PubChem CID103520329
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide
SMILESCCN(CCC#N)C(=O)CC1(OC)CCC1
InChIInChI=1S/C12H20N2O2/c1-3-14(9-5-8-13)11(15)10-12(16-2)6-4-7-12/h3-7,9-10H2,1-2H3
InChIKeyILRYELURBATDSF-UHFFFAOYSA-N
XLogP1.71
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide (CID 103520329) is N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide is CCN(CCC#N)C(=O)CC1(OC)CCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is ILRYELURBATDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-14(9-5-8-13)11(15)10-12(16-2)6-4-7-12/h3-7,9-10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide?
N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 224.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103520329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).