N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide

C20H28N2O2 — CID 171070650

IUPACN-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide
SMILESCCCC(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(C)c2)C1(C)C
InChIInChI=1S/C20H28N2O2/c1-7-8-16(23)22-17-19(3,4)18(20(17,5)6)24-15-10-9-14(12-21)13(2)11-15/h9-11,17-18H,7-8H2,1-6H3,(H,22,23)
InChIKeyVRGCHHBDJLEAIC-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.96
Rot. Bonds5

About N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide

N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide (PubChem CID 171070650) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide.

Molecular Properties

Compound NameN-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide
PubChem CID171070650
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide
SMILESCCCC(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(C)c2)C1(C)C
InChIInChI=1S/C20H28N2O2/c1-7-8-16(23)22-17-19(3,4)18(20(17,5)6)24-15-10-9-14(12-21)13(2)11-15/h9-11,17-18H,7-8H2,1-6H3,(H,22,23)
InChIKeyVRGCHHBDJLEAIC-UHFFFAOYSA-N
XLogP3.96
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-methylpyrimidine-5-carboxamide
CID 170392060
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-methyl-4-methylidene-5-oxohexanamide
CID 170392004
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176982690
[3-(4-cyano-3-iodophenoxy)-2,2,4,4-tetramethylcyclobutyl]urea
CID 175192701
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)benzamide
CID 176982845
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridazine-3-carboxamide
CID 148941070
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-methylpyridine-3-carboxamide;ethane
CID 142409450
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 56648414
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[methyl(propyl)amino]pyridine-3-carboxamide
CID 135296462
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-(5-hydroxypent-3-ynyl)pyrimidine-5-carboxamide
CID 176983408
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-(2-cyanoethyl)pyrazole-3-carboxamide
CID 56648509
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(4-propan-2-yloxyphenyl)benzamide
CID 118881635

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide?
The IUPAC name of N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide (CID 171070650) is N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide.
What is the SMILES notation for N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide?
The canonical SMILES for N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide is CCCC(=O)NC1C(C)(C)C(Oc2ccc(C#N)c(C)c2)C1(C)C.
What is the InChIKey of N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide?
The InChIKey is VRGCHHBDJLEAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-7-8-16(23)22-17-19(3,4)18(20(17,5)6)24-15-10-9-14(12-21)13(2)11-15/h9-11,17-18H,7-8H2,1-6H3,(H,22,23).
What are the key properties of N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide?
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide has a molecular weight of 328.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]butanamide is sourced from PubChem (CID 171070650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).