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

C14H24N2O2 — CID 103520426

IUPACN-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
SMILESCOC1(CC(=O)N(CCC#N)CC(C)C)CCC1
InChIInChI=1S/C14H24N2O2/c1-12(2)11-16(9-5-8-15)13(17)10-14(18-3)6-4-7-14/h12H,4-7,9-11H2,1-3H3
InChIKeyARLNIRYCYPLEAL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.34
Rot. Bonds7

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

N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide (PubChem CID 103520426) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
PubChem CID103520426
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
SMILESCOC1(CC(=O)N(CCC#N)CC(C)C)CCC1
InChIInChI=1S/C14H24N2O2/c1-12(2)11-16(9-5-8-15)13(17)10-14(18-3)6-4-7-14/h12H,4-7,9-11H2,1-3H3
InChIKeyARLNIRYCYPLEAL-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.34
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-(2-methylpropyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide (CID 103520426) is N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide is COC1(CC(=O)N(CCC#N)CC(C)C)CCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide?
The InChIKey is ARLNIRYCYPLEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(2)11-16(9-5-8-15)13(17)10-14(18-3)6-4-7-14/h12H,4-7,9-11H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide?
N-(2-cyanoethyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide has a molecular weight of 252.36 g/mol, XLogP of 2.34, 7 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 103520426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).