N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide

C23H27NO2 — CID 91577594

IUPACN-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide
SMILESCCCC(=O)NCCOCC(=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO2/c1-2-10-23(25)24-17-18-26-19-22(21-14-7-4-8-15-21)16-9-13-20-11-5-3-6-12-20/h3-9,11-16H,2,10,17-19H2,1H3,(H,24,25)
InChIKeyZHQAYONRRBEKSU-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.72
Rot. Bonds10

About N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide

N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide (PubChem CID 91577594) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide
PubChem CID91577594
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide
SMILESCCCC(=O)NCCOCC(=CC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO2/c1-2-10-23(25)24-17-18-26-19-22(21-14-7-4-8-15-21)16-9-13-20-11-5-3-6-12-20/h3-9,11-16H,2,10,17-19H2,1H3,(H,24,25)
InChIKeyZHQAYONRRBEKSU-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-4-phenylbut-3-enyl]pentanamide
CID 110667590
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
[(1E,3E)-1-butoxy-4-phenylbuta-1,3-dienyl]benzene
CID 87886241
(1-butoxy-4-phenylbuta-1,3-dienyl)benzene
CID 90913634
(2Z,4E)-2-cyano-N-(2-methoxyethyl)-5-phenylpenta-2,4-dienamide
CID 2343498
tris(1,4-bis[(E)-2-phenylethenyl]benzene);ethane;N-[2-[2-[2-[4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methylphenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide;methanol;tris(N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pentanamide);N-[2-[2-[2-[4-[(E)-2-[2-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 162022784
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide?
The IUPAC name of N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide (CID 91577594) is N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide.
What is the SMILES notation for N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide?
The canonical SMILES for N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide is CCCC(=O)NCCOCC(=CC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide?
The InChIKey is ZHQAYONRRBEKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-2-10-23(25)24-17-18-26-19-22(21-14-7-4-8-15-21)16-9-13-20-11-5-3-6-12-20/h3-9,11-16H,2,10,17-19H2,1H3,(H,24,25).
What are the key properties of N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide?
N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide has a molecular weight of 349.47 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-diphenylpenta-2,4-dienoxy)ethyl]butanamide is sourced from PubChem (CID 91577594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).