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

C12H20N2O2 — CID 103520332

IUPACN-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOC1(CC(=O)N(C)CC(C)C#N)CCC1
InChIInChI=1S/C12H20N2O2/c1-10(8-13)9-14(2)11(15)7-12(16-3)5-4-6-12/h10H,4-7,9H2,1-3H3
InChIKeyWXTXEZYUVVUBOS-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.56
Rot. Bonds5

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

N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide (PubChem CID 103520332) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
PubChem CID103520332
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide
SMILESCOC1(CC(=O)N(C)CC(C)C#N)CCC1
InChIInChI=1S/C12H20N2O2/c1-10(8-13)9-14(2)11(15)7-12(16-3)5-4-6-12/h10H,4-7,9H2,1-3H3
InChIKeyWXTXEZYUVVUBOS-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The IUPAC name of N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide (CID 103520332) is N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The canonical SMILES for N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide is COC1(CC(=O)N(C)CC(C)C#N)CCC1.
What is the InChIKey of N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
The InChIKey is WXTXEZYUVVUBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10(8-13)9-14(2)11(15)7-12(16-3)5-4-6-12/h10H,4-7,9H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide?
N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-(1-methoxycyclobutyl)-N-methylacetamide is sourced from PubChem (CID 103520332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).