N-[(E)-4-phenylbut-3-enyl]pentanamide

C15H21NO — CID 110667590

IUPACN-[(E)-4-phenylbut-3-enyl]pentanamide
SMILESCCCCC(=O)NCC/C=C/c1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-12-15(17)16-13-8-7-11-14-9-5-4-6-10-14/h4-7,9-11H,2-3,8,12-13H2,1H3,(H,16,17)/b11-7+
InChIKeySMPUUGQPHXHQFK-YRNVUSSQSA-N
MW231.34 g/mol
LogP3.40
Rot. Bonds7

About N-[(E)-4-phenylbut-3-enyl]pentanamide

N-[(E)-4-phenylbut-3-enyl]pentanamide (PubChem CID 110667590) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(E)-4-phenylbut-3-enyl]pentanamide.

Molecular Properties

Compound NameN-[(E)-4-phenylbut-3-enyl]pentanamide
PubChem CID110667590
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[(E)-4-phenylbut-3-enyl]pentanamide
SMILESCCCCC(=O)NCC/C=C/c1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-12-15(17)16-13-8-7-11-14-9-5-4-6-10-14/h4-7,9-11H,2-3,8,12-13H2,1H3,(H,16,17)/b11-7+
InChIKeySMPUUGQPHXHQFK-YRNVUSSQSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
[(E)-4-phenylbut-3-enyl]carbamic acid
CID 22018485
(2E,6Z)-N-decyl-7-phenylhepta-2,6-dienamide
CID 70372352
(Z)-N-(2-methylpropyl)-7-phenylhept-6-enamide
CID 70372311
N-[(E)-4-phenylbut-3-enyl]butane-1-sulfonamide
CID 110667617
diethyl 2-[[(E)-4-phenylbut-3-enyl]carbamoyl]butanedioate
CID 14547771
[(E)-octadec-1-enyl]benzene
CID 22722345
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
S-[(E)-3-phenylprop-2-enyl] N-butylcarbamothioate
CID 46854148
7-phenylhept-6-en-2-one
CID 582607
oct-1-enylbenzene;phosphoric acid
CID 159316508
(E)-5-phenylpent-4-enoic acid
CID 5370650

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-phenylbut-3-enyl]pentanamide?
The IUPAC name of N-[(E)-4-phenylbut-3-enyl]pentanamide (CID 110667590) is N-[(E)-4-phenylbut-3-enyl]pentanamide.
What is the SMILES notation for N-[(E)-4-phenylbut-3-enyl]pentanamide?
The canonical SMILES for N-[(E)-4-phenylbut-3-enyl]pentanamide is CCCCC(=O)NCC/C=C/c1ccccc1.
What is the InChIKey of N-[(E)-4-phenylbut-3-enyl]pentanamide?
The InChIKey is SMPUUGQPHXHQFK-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-12-15(17)16-13-8-7-11-14-9-5-4-6-10-14/h4-7,9-11H,2-3,8,12-13H2,1H3,(H,16,17)/b11-7+.
What are the key properties of N-[(E)-4-phenylbut-3-enyl]pentanamide?
N-[(E)-4-phenylbut-3-enyl]pentanamide has a molecular weight of 231.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-phenylbut-3-enyl]pentanamide is sourced from PubChem (CID 110667590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).