4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide

C16H22N2O4 — CID 78876024

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCN(CCO)C(=O)CCCOc1ccc(C#N)cc1OC
InChIInChI=1S/C16H22N2O4/c1-3-18(8-9-19)16(20)5-4-10-22-14-7-6-13(12-17)11-15(14)21-2/h6-7,11,19H,3-5,8-10H2,1-2H3
InChIKeySXLYTWWLAWDVMU-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.57
Rot. Bonds9

About 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide

4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide (PubChem CID 78876024) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide
PubChem CID78876024
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCN(CCO)C(=O)CCCOc1ccc(C#N)cc1OC
InChIInChI=1S/C16H22N2O4/c1-3-18(8-9-19)16(20)5-4-10-22-14-7-6-13(12-17)11-15(14)21-2/h6-7,11,19H,3-5,8-10H2,1-2H3
InChIKeySXLYTWWLAWDVMU-UHFFFAOYSA-N
XLogP1.57
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethoxypropoxy)-3-methoxybenzonitrile
CID 65175346
3-methoxy-4-(2-oxopentoxy)benzonitrile
CID 62042091
4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 55713088
4-(2-ethylsulfonylethoxy)-3-methoxybenzonitrile
CID 43807788
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
4-(5-chloropentoxy)-3-methoxybenzonitrile
CID 43348380
N-[1-(4-chlorophenyl)ethyl]-4-(4-cyano-2-methoxyphenoxy)butanamide
CID 55713615
4-(4-cyano-2-fluorophenoxy)-N,N-dimethylbutanamide
CID 107670437
4-(9-bromononoxy)-3-methoxybenzonitrile
CID 105343210
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
3-butoxy-4-methoxybenzonitrile
CID 147818177
3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 4808212

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide (CID 78876024) is 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide is CCN(CCO)C(=O)CCCOc1ccc(C#N)cc1OC.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is SXLYTWWLAWDVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-18(8-9-19)16(20)5-4-10-22-14-7-6-13(12-17)11-15(14)21-2/h6-7,11,19H,3-5,8-10H2,1-2H3.
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide has a molecular weight of 306.36 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-ethyl-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 78876024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).