2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide

C14H16N2O — CID 103528203

IUPAC2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O/c1-11(2)7-8-16-14(17)9-12-3-5-13(10-15)6-4-12/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyPXYPYTAULVDLMJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.18
Rot. Bonds4

About 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide

2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide (PubChem CID 103528203) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
PubChem CID103528203
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide
SMILESCC(C)=CCNC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C14H16N2O/c1-11(2)7-8-16-14(17)9-12-3-5-13(10-15)6-4-12/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyPXYPYTAULVDLMJ-UHFFFAOYSA-N
XLogP2.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-methylbut-2-enylamino)methyl]benzonitrile
CID 103527852
1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
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2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
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2-(4-cyanophenyl)-N-phenylacetamide
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2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
2-(4-cyanophenyl)ethylcarbamic acid
CID 67243316
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide (CID 103528203) is 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide is CC(C)=CCNC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide?
The InChIKey is PXYPYTAULVDLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(2)7-8-16-14(17)9-12-3-5-13(10-15)6-4-12/h3-7H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide?
2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide has a molecular weight of 228.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(3-methylbut-2-enyl)acetamide is sourced from PubChem (CID 103528203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).