N-(3-methyl-1-phenylbut-3-enyl)acetamide

C13H17NO — CID 69439748

IUPACN-(3-methyl-1-phenylbut-3-enyl)acetamide
SMILESC=C(C)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-10(2)9-13(14-11(3)15)12-7-5-4-6-8-12/h4-8,13H,1,9H2,2-3H3,(H,14,15)
InChIKeyWQLNZSLHSUUXIN-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.83
Rot. Bonds4

About N-(3-methyl-1-phenylbut-3-enyl)acetamide

N-(3-methyl-1-phenylbut-3-enyl)acetamide (PubChem CID 69439748) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbut-3-enyl)acetamide
PubChem CID69439748
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(3-methyl-1-phenylbut-3-enyl)acetamide
SMILESC=C(C)CC(NC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-10(2)9-13(14-11(3)15)12-7-5-4-6-8-12/h4-8,13H,1,9H2,2-3H3,(H,14,15)
InChIKeyWQLNZSLHSUUXIN-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-acetamido-3-phenylpropanoate
CID 6935995
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
3-acetamido-3-(4-phenylphenyl)propanoic acid
CID 63649905
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
[(2R)-1-amino-1-oxopropan-2-yl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132707
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
2-[(3-acetamido-3-phenylpropanoyl)-methylamino]propanoic acid
CID 119209228
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbut-3-enyl)acetamide?
The IUPAC name of N-(3-methyl-1-phenylbut-3-enyl)acetamide (CID 69439748) is N-(3-methyl-1-phenylbut-3-enyl)acetamide.
What is the SMILES notation for N-(3-methyl-1-phenylbut-3-enyl)acetamide?
The canonical SMILES for N-(3-methyl-1-phenylbut-3-enyl)acetamide is C=C(C)CC(NC(C)=O)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbut-3-enyl)acetamide?
The InChIKey is WQLNZSLHSUUXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(2)9-13(14-11(3)15)12-7-5-4-6-8-12/h4-8,13H,1,9H2,2-3H3,(H,14,15).
What are the key properties of N-(3-methyl-1-phenylbut-3-enyl)acetamide?
N-(3-methyl-1-phenylbut-3-enyl)acetamide has a molecular weight of 203.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbut-3-enyl)acetamide is sourced from PubChem (CID 69439748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).