N-benzyl-N-[(E)-but-1-enyl]acetamide

C13H17NO — CID 13494620

IUPACN-benzyl-N-[(E)-but-1-enyl]acetamide
SMILESCC/C=C/N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C13H17NO/c1-3-4-10-14(12(2)15)11-13-8-6-5-7-9-13/h4-10H,3,11H2,1-2H3/b10-4+
InChIKeyBUWAAKVBQMVZGW-ONNFQVAWSA-N
MW203.28 g/mol
LogP2.96
Rot. Bonds4

About N-benzyl-N-[(E)-but-1-enyl]acetamide

N-benzyl-N-[(E)-but-1-enyl]acetamide (PubChem CID 13494620) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-benzyl-N-[(E)-but-1-enyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(E)-but-1-enyl]acetamide
PubChem CID13494620
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-benzyl-N-[(E)-but-1-enyl]acetamide
SMILESCC/C=C/N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C13H17NO/c1-3-4-10-14(12(2)15)11-13-8-6-5-7-9-13/h4-10H,3,11H2,1-2H3/b10-4+
InChIKeyBUWAAKVBQMVZGW-ONNFQVAWSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
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N-benzyl-N-ethenylpropanamide
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3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
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3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N-benzyl-N-propan-2-ylacetamide
CID 23534449
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
(E)-4-[benzyl(prop-2-enyl)amino]but-3-en-2-one
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N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(E)-but-1-enyl]acetamide?
The IUPAC name of N-benzyl-N-[(E)-but-1-enyl]acetamide (CID 13494620) is N-benzyl-N-[(E)-but-1-enyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(E)-but-1-enyl]acetamide?
The canonical SMILES for N-benzyl-N-[(E)-but-1-enyl]acetamide is CC/C=C/N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-benzyl-N-[(E)-but-1-enyl]acetamide?
The InChIKey is BUWAAKVBQMVZGW-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-4-10-14(12(2)15)11-13-8-6-5-7-9-13/h4-10H,3,11H2,1-2H3/b10-4+.
What are the key properties of N-benzyl-N-[(E)-but-1-enyl]acetamide?
N-benzyl-N-[(E)-but-1-enyl]acetamide has a molecular weight of 203.28 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(E)-but-1-enyl]acetamide is sourced from PubChem (CID 13494620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).