N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide

C17H22N2O3 — CID 166301327

IUPACN-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide
SMILESCC(C)Oc1cc(C#N)ccc1NC(=O)COCC1CCC1
InChIInChI=1S/C17H22N2O3/c1-12(2)22-16-8-14(9-18)6-7-15(16)19-17(20)11-21-10-13-4-3-5-13/h6-8,12-13H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyKKOFWDBGQRKIIT-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.10
Rot. Bonds7

About N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide

N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide (PubChem CID 166301327) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide.

Molecular Properties

Compound NameN-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide
PubChem CID166301327
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide
SMILESCC(C)Oc1cc(C#N)ccc1NC(=O)COCC1CCC1
InChIInChI=1S/C17H22N2O3/c1-12(2)22-16-8-14(9-18)6-7-15(16)19-17(20)11-21-10-13-4-3-5-13/h6-8,12-13H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyKKOFWDBGQRKIIT-UHFFFAOYSA-N
XLogP3.10
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide?
The IUPAC name of N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide (CID 166301327) is N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide.
What is the SMILES notation for N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide?
The canonical SMILES for N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide is CC(C)Oc1cc(C#N)ccc1NC(=O)COCC1CCC1.
What is the InChIKey of N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide?
The InChIKey is KKOFWDBGQRKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(2)22-16-8-14(9-18)6-7-15(16)19-17(20)11-21-10-13-4-3-5-13/h6-8,12-13H,3-5,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide?
N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide has a molecular weight of 302.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-propan-2-yloxyphenyl)-2-(cyclobutylmethoxy)acetamide is sourced from PubChem (CID 166301327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).