7-phenyl-N-propylhepta-2,4-dienamide

C16H21NO — CID 123644978

IUPAC7-phenyl-N-propylhepta-2,4-dienamide
SMILESCCCNC(=O)C=CC=CCCc1ccccc1
InChIInChI=1S/C16H21NO/c1-2-14-17-16(18)13-9-4-3-6-10-15-11-7-5-8-12-15/h3-5,7-9,11-13H,2,6,10,14H2,1H3,(H,17,18)
InChIKeySVCMRCXVLHPKSC-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.26
Rot. Bonds7

About 7-phenyl-N-propylhepta-2,4-dienamide

7-phenyl-N-propylhepta-2,4-dienamide (PubChem CID 123644978) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 7-phenyl-N-propylhepta-2,4-dienamide.

Molecular Properties

Compound Name7-phenyl-N-propylhepta-2,4-dienamide
PubChem CID123644978
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name7-phenyl-N-propylhepta-2,4-dienamide
SMILESCCCNC(=O)C=CC=CCCc1ccccc1
InChIInChI=1S/C16H21NO/c1-2-14-17-16(18)13-9-4-3-6-10-15-11-7-5-8-12-15/h3-5,7-9,11-13H,2,6,10,14H2,1H3,(H,17,18)
InChIKeySVCMRCXVLHPKSC-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.26
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

(2E,4E)-8-bromo-N-(2-phenylethyl)octa-2,4-dienamide
CID 166438872
4-phenyl-N-propylbut-2-enamide
CID 154634438
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
CID 20628704
(E)-N-methyl-5-phenylpent-2-enamide
CID 11321418
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
CID 14427405
(Z)-3-benzylsulfinyl-N-propylprop-2-enamide
CID 10332407
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-butyl-4-phenylbut-2-enamide
CID 154634439
(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide
CID 88614180
dimethyl (Z)-2,3-bis[(E)-4-phenylbut-1-enyl]but-2-enedioate
CID 11211860
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-propylhepta-2,4-dienamide?
The IUPAC name of 7-phenyl-N-propylhepta-2,4-dienamide (CID 123644978) is 7-phenyl-N-propylhepta-2,4-dienamide.
What is the SMILES notation for 7-phenyl-N-propylhepta-2,4-dienamide?
The canonical SMILES for 7-phenyl-N-propylhepta-2,4-dienamide is CCCNC(=O)C=CC=CCCc1ccccc1.
What is the InChIKey of 7-phenyl-N-propylhepta-2,4-dienamide?
The InChIKey is SVCMRCXVLHPKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-14-17-16(18)13-9-4-3-6-10-15-11-7-5-8-12-15/h3-5,7-9,11-13H,2,6,10,14H2,1H3,(H,17,18).
What are the key properties of 7-phenyl-N-propylhepta-2,4-dienamide?
7-phenyl-N-propylhepta-2,4-dienamide has a molecular weight of 243.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-propylhepta-2,4-dienamide is sourced from PubChem (CID 123644978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).