2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide

C17H19NO2 — CID 142928942

IUPAC2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide
SMILESC=C/C=C\C=C(/C)C(=O)c1cccc(CC(N)=O)c1C
InChIInChI=1S/C17H19NO2/c1-4-5-6-8-12(2)17(20)15-10-7-9-14(13(15)3)11-16(18)19/h4-10H,1,11H2,2-3H3,(H2,18,19)/b6-5-,12-8+
InChIKeyPBTMFKFSUIFVOZ-ZBKAMDABSA-N
MW269.34 g/mol
LogP2.89
Rot. Bonds6

About 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide

2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide (PubChem CID 142928942) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide
PubChem CID142928942
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide
SMILESC=C/C=C\C=C(/C)C(=O)c1cccc(CC(N)=O)c1C
InChIInChI=1S/C17H19NO2/c1-4-5-6-8-12(2)17(20)15-10-7-9-14(13(15)3)11-16(18)19/h4-10H,1,11H2,2-3H3,(H2,18,19)/b6-5-,12-8+
InChIKeyPBTMFKFSUIFVOZ-ZBKAMDABSA-N
XLogP2.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide?
The IUPAC name of 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide (CID 142928942) is 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide.
What is the SMILES notation for 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide?
The canonical SMILES for 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide is C=C/C=C\C=C(/C)C(=O)c1cccc(CC(N)=O)c1C.
What is the InChIKey of 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide?
The InChIKey is PBTMFKFSUIFVOZ-ZBKAMDABSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-5-6-8-12(2)17(20)15-10-7-9-14(13(15)3)11-16(18)19/h4-10H,1,11H2,2-3H3,(H2,18,19)/b6-5-,12-8+.
What are the key properties of 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide?
2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]phenyl]acetamide is sourced from PubChem (CID 142928942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).