N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide

C19H28N2O3 — CID 133230029

IUPACN-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCOC(C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1
InChIInChI=1S/C19H28N2O3/c1-7-23-19(6,11-13(2)3)18(22)21-16-8-9-17(24-14(4)5)15(10-16)12-20/h8-10,13-14H,7,11H2,1-6H3,(H,21,22)
InChIKeyZFCUTILDIJJTLT-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.13
Rot. Bonds8

About N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide

N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 133230029) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
PubChem CID133230029
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCOC(C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1
InChIInChI=1S/C19H28N2O3/c1-7-23-19(6,11-13(2)3)18(22)21-16-8-9-17(24-14(4)5)15(10-16)12-20/h8-10,13-14H,7,11H2,1-6H3,(H,21,22)
InChIKeyZFCUTILDIJJTLT-UHFFFAOYSA-N
XLogP4.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759496
(2R)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759539
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759542
(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
(2S)-N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylhexanamide
CID 100754949
N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylheptanamide
CID 133229855
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722911
(2R)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722919
N-(4-butoxy-3-cyanophenyl)-2-methoxy-2,4-dimethylpentanamide
CID 133229739
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760136

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide (CID 133230029) is N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide is CCOC(C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is ZFCUTILDIJJTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-7-23-19(6,11-13(2)3)18(22)21-16-8-9-17(24-14(4)5)15(10-16)12-20/h8-10,13-14H,7,11H2,1-6H3,(H,21,22).
What are the key properties of N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide has a molecular weight of 332.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 133230029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).