N-benzyl-2,4-dimethylpenta-2,3-dienamide

C14H17NO — CID 11746007

IUPACN-benzyl-2,4-dimethylpenta-2,3-dienamide
SMILESCC(C)=C=C(C)C(=O)NCc1ccccc1
InChIInChI=1S/C14H17NO/c1-11(2)9-12(3)14(16)15-10-13-7-5-4-6-8-13/h4-8H,10H2,1-3H3,(H,15,16)
InChIKeyBWVXKWWPMYPRRM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.81
Rot. Bonds3

About N-benzyl-2,4-dimethylpenta-2,3-dienamide

N-benzyl-2,4-dimethylpenta-2,3-dienamide (PubChem CID 11746007) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-benzyl-2,4-dimethylpenta-2,3-dienamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethylpenta-2,3-dienamide
PubChem CID11746007
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-benzyl-2,4-dimethylpenta-2,3-dienamide
SMILESCC(C)=C=C(C)C(=O)NCc1ccccc1
InChIInChI=1S/C14H17NO/c1-11(2)9-12(3)14(16)15-10-13-7-5-4-6-8-13/h4-8H,10H2,1-3H3,(H,15,16)
InChIKeyBWVXKWWPMYPRRM-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethylpenta-2,3-dienamide?
The IUPAC name of N-benzyl-2,4-dimethylpenta-2,3-dienamide (CID 11746007) is N-benzyl-2,4-dimethylpenta-2,3-dienamide.
What is the SMILES notation for N-benzyl-2,4-dimethylpenta-2,3-dienamide?
The canonical SMILES for N-benzyl-2,4-dimethylpenta-2,3-dienamide is CC(C)=C=C(C)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2,4-dimethylpenta-2,3-dienamide?
The InChIKey is BWVXKWWPMYPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)9-12(3)14(16)15-10-13-7-5-4-6-8-13/h4-8H,10H2,1-3H3,(H,15,16).
What are the key properties of N-benzyl-2,4-dimethylpenta-2,3-dienamide?
N-benzyl-2,4-dimethylpenta-2,3-dienamide has a molecular weight of 215.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethylpenta-2,3-dienamide is sourced from PubChem (CID 11746007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).