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

C19H28N2O3 — CID 133204049

IUPACN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
SMILESCCCOC(C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1C#N
InChIInChI=1S/C19H28N2O3/c1-6-10-24-19(5,7-2)18(22)21-17-9-8-16(11-15(17)12-20)23-13-14(3)4/h8-9,11,14H,6-7,10,13H2,1-5H3,(H,21,22)
InChIKeyXAXSMITZABDHSV-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.13
Rot. Bonds9

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

N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide (PubChem CID 133204049) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide.

Molecular Properties

Compound NameN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
PubChem CID133204049
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide
SMILESCCCOC(C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1C#N
InChIInChI=1S/C19H28N2O3/c1-6-10-24-19(5,7-2)18(22)21-17-9-8-16(11-15(17)12-20)23-13-14(3)4/h8-9,11,14H,6-7,10,13H2,1-5H3,(H,21,22)
InChIKeyXAXSMITZABDHSV-UHFFFAOYSA-N
XLogP4.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766555
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 100752858
(2S)-N-(2-cyano-4-propoxyphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100764757
(2S)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100759844
N-(4-butoxy-2-cyanophenyl)-2-methyl-2-propoxyhexanamide
CID 133205364
N-(2-cyano-4-ethoxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133229996
[3-cyano-4-[[(2S)-2,4-dimethyl-2-propoxypentanoyl]amino]phenyl] acetate
CID 100764800
(2R)-N-(4-butoxy-2-cyanophenyl)-2-methoxy-2-methylbutanamide
CID 100752811
(2S)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxypentanamide
CID 100765089
N-(4-butan-2-yloxy-2-cyanophenyl)-2-methyl-2-propoxyheptanamide
CID 133205403
(2R)-N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100763601
(2R)-N-(2-cyano-4-methoxyphenyl)-2-methyl-2-propoxyhexanamide
CID 100765993

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide?
The IUPAC name of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide (CID 133204049) is N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide.
What is the SMILES notation for N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide?
The canonical SMILES for N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide is CCCOC(C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1C#N.
What is the InChIKey of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide?
The InChIKey is XAXSMITZABDHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-6-10-24-19(5,7-2)18(22)21-17-9-8-16(11-15(17)12-20)23-13-14(3)4/h8-9,11,14H,6-7,10,13H2,1-5H3,(H,21,22).
What are the key properties of N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide?
N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide has a molecular weight of 332.44 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxybutanamide is sourced from PubChem (CID 133204049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).