N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide

C12H20N2O2 — CID 103520325

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

About N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide

N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide (PubChem CID 103520325) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide
PubChem CID103520325
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide
SMILESCCCN(CC#N)C(=O)CC1(OC)CCC1
InChIInChI=1S/C12H20N2O2/c1-3-8-14(9-7-13)11(15)10-12(16-2)5-4-6-12/h3-6,8-10H2,1-2H3
InChIKeyXOHKYJJGHCLFEH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide?
The IUPAC name of N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide (CID 103520325) is N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide is CCCN(CC#N)C(=O)CC1(OC)CCC1.
What is the InChIKey of N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide?
The InChIKey is XOHKYJJGHCLFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-8-14(9-7-13)11(15)10-12(16-2)5-4-6-12/h3-6,8-10H2,1-2H3.
What are the key properties of N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide?
N-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide 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-(cyanomethyl)-2-(1-methoxycyclobutyl)-N-propylacetamide is sourced from PubChem (CID 103520325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).