N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide

C20H30N2O3 — CID 133204118

IUPACN-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
SMILESCCCOC(C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1
InChIInChI=1S/C20H30N2O3/c1-6-10-20(5,25-11-7-2)19(23)22-17-8-9-18(16(12-17)13-21)24-14-15(3)4/h8-9,12,15H,6-7,10-11,14H2,1-5H3,(H,22,23)
InChIKeyGVGXUALOEQRMRV-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.52
Rot. Bonds10

About N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide

N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide (PubChem CID 133204118) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide.

Molecular Properties

Compound NameN-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
PubChem CID133204118
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide
SMILESCCCOC(C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1
InChIInChI=1S/C20H30N2O3/c1-6-10-20(5,25-11-7-2)19(23)22-17-8-9-18(16(12-17)13-21)24-14-15(3)4/h8-9,12,15H,6-7,10-11,14H2,1-5H3,(H,22,23)
InChIKeyGVGXUALOEQRMRV-UHFFFAOYSA-N
XLogP4.52
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764728
(2S)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764723
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-propoxypropanamide
CID 133205492
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 133229857
methyl 2-(2-methylpropoxy)-5-[[(2R)-2-methyl-2-propoxypentanoyl]amino]benzoate
CID 100764936
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,2-dimethylpropanamide
CID 100751118
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
[2-cyano-4-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]phenyl] acetate
CID 100766105
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 133205355
(2S)-N-(3-cyano-4-propoxyphenyl)-2-ethoxy-2-methylhexanamide
CID 100760858
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393
[2-cyano-4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenyl] acetate
CID 100764380

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide?
The IUPAC name of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide (CID 133204118) is N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide.
What is the SMILES notation for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide?
The canonical SMILES for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide is CCCOC(C)(CCC)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1.
What is the InChIKey of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide?
The InChIKey is GVGXUALOEQRMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-6-10-20(5,25-11-7-2)19(23)22-17-8-9-18(16(12-17)13-21)24-14-15(3)4/h8-9,12,15H,6-7,10-11,14H2,1-5H3,(H,22,23).
What are the key properties of N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide?
N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide has a molecular weight of 346.47 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxypentanamide is sourced from PubChem (CID 133204118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).