(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide

C18H25NO — CID 88614180

IUPAC(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide
SMILESCc1ccccc1CCC=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H25NO/c1-15(2)14-19-18(20)13-7-5-4-6-11-17-12-9-8-10-16(17)3/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3,(H,19,20)/b5-4?,13-7+
InChIKeyYYHILRGZKPZHCF-GVSYHEQVSA-N
MW271.40 g/mol
LogP3.81
Rot. Bonds7

About (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide

(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide (PubChem CID 88614180) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide
PubChem CID88614180
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide
SMILESCc1ccccc1CCC=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C18H25NO/c1-15(2)14-19-18(20)13-7-5-4-6-11-17-12-9-8-10-16(17)3/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3,(H,19,20)/b5-4?,13-7+
InChIKeyYYHILRGZKPZHCF-GVSYHEQVSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
(2E,4E)-8-hydroxy-N-(2-methylpropyl)octa-2,4-dienamide
CID 134860994
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
CID 88710784
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
CID 13477078
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
N-(2-methylpropyl)trideca-2,4,12-trienamide
CID 87901236

Frequently Asked Questions

What is the IUPAC name of (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide?
The IUPAC name of (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide (CID 88614180) is (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide.
What is the SMILES notation for (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide?
The canonical SMILES for (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide is Cc1ccccc1CCC=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide?
The InChIKey is YYHILRGZKPZHCF-GVSYHEQVSA-N. The full InChI is InChI=1S/C18H25NO/c1-15(2)14-19-18(20)13-7-5-4-6-11-17-12-9-8-10-16(17)3/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3,(H,19,20)/b5-4?,13-7+.
What are the key properties of (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide?
(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide has a molecular weight of 271.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide is sourced from PubChem (CID 88614180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).