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

C13H20N2O2 — CID 103520343

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)N(CCC#N)C2CC2)CCC1
InChIInChI=1S/C13H20N2O2/c1-17-13(6-2-7-13)10-12(16)15(9-3-8-14)11-4-5-11/h11H,2-7,9-10H2,1H3
InChIKeyBPBYAHOXLUDDTM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.85
Rot. Bonds6

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

N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103520343) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide
PubChem CID103520343
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)N(CCC#N)C2CC2)CCC1
InChIInChI=1S/C13H20N2O2/c1-17-13(6-2-7-13)10-12(16)15(9-3-8-14)11-4-5-11/h11H,2-7,9-10H2,1H3
InChIKeyBPBYAHOXLUDDTM-UHFFFAOYSA-N
XLogP1.85
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-3-methylbutanamide
CID 103020141
N,N-diethyl-2-(1-methoxycyclobutyl)acetamide
CID 103517364
N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide
CID 103520325
N-(2-cyanoethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide
CID 103520329
N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103520332
N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103520342
N-(cyanomethyl)-N-ethyl-2-(1-methoxycyclobutyl)acetamide
CID 103520346
N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
CID 103520426
N-(1-cyanoethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520428
N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103520459
N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
CID 103520492
N-(1-cyanobutyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520565

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide (CID 103520343) is N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)N(CCC#N)C2CC2)CCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is BPBYAHOXLUDDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-13(6-2-7-13)10-12(16)15(9-3-8-14)11-4-5-11/h11H,2-7,9-10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.85, 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-cyclopropyl-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103520343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).