2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide

C18H26N2O2 — CID 15457237

IUPAC2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCCCCOc1ccc(CC(=O)NC(C)(C#N)C(C)C)cc1
InChIInChI=1S/C18H26N2O2/c1-5-6-11-22-16-9-7-15(8-10-16)12-17(21)20-18(4,13-19)14(2)3/h7-10,14H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyIHVOKXVGNIIUBI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.46
Rot. Bonds8

About 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide

2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide (PubChem CID 15457237) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
PubChem CID15457237
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
SMILESCCCCOc1ccc(CC(=O)NC(C)(C#N)C(C)C)cc1
InChIInChI=1S/C18H26N2O2/c1-5-6-11-22-16-9-7-15(8-10-16)12-17(21)20-18(4,13-19)14(2)3/h7-10,14H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyIHVOKXVGNIIUBI-UHFFFAOYSA-N
XLogP3.46
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)phenoxy]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 106484798
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8604749
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966668
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140979
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579100
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide
CID 55478417
2-(4-ethoxyphenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884327
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7983637
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
CID 94183956

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CID 15457237) is 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide is CCCCOc1ccc(CC(=O)NC(C)(C#N)C(C)C)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide?
The InChIKey is IHVOKXVGNIIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-5-6-11-22-16-9-7-15(8-10-16)12-17(21)20-18(4,13-19)14(2)3/h7-10,14H,5-6,11-12H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide?
2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-N-(2-cyano-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 15457237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).