N-(4-phenylpent-4-enyl)acetamide

C13H17NO — CID 10798197

IUPACN-(4-phenylpent-4-enyl)acetamide
SMILESC=C(CCCNC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-11(7-6-10-14-12(2)15)13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10H2,2H3,(H,14,15)
InChIKeyRTUWSMGMPOMLMJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.62
Rot. Bonds5

About N-(4-phenylpent-4-enyl)acetamide

N-(4-phenylpent-4-enyl)acetamide (PubChem CID 10798197) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(4-phenylpent-4-enyl)acetamide.

Molecular Properties

Compound NameN-(4-phenylpent-4-enyl)acetamide
PubChem CID10798197
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(4-phenylpent-4-enyl)acetamide
SMILESC=C(CCCNC(C)=O)c1ccccc1
InChIInChI=1S/C13H17NO/c1-11(7-6-10-14-12(2)15)13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10H2,2H3,(H,14,15)
InChIKeyRTUWSMGMPOMLMJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.62
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-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
N-[4-(4-bromo-3-hydroxyphenyl)pent-4-enyl]acetamide
CID 89089726
N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide
CID 10632099
1-(4-methylphenyl)sulfonyl-3-(4-phenylpent-4-enyl)urea
CID 59052048
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
N-(4-oxopentyl)benzamide
CID 10798281
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
N-(5-methyl-4-methylidenehexyl)benzamide
CID 24750673
N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide
CID 82100086
ethyl 5-phenylhex-5-enoate
CID 146276439
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylpent-4-enyl)acetamide?
The IUPAC name of N-(4-phenylpent-4-enyl)acetamide (CID 10798197) is N-(4-phenylpent-4-enyl)acetamide.
What is the SMILES notation for N-(4-phenylpent-4-enyl)acetamide?
The canonical SMILES for N-(4-phenylpent-4-enyl)acetamide is C=C(CCCNC(C)=O)c1ccccc1.
What is the InChIKey of N-(4-phenylpent-4-enyl)acetamide?
The InChIKey is RTUWSMGMPOMLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(7-6-10-14-12(2)15)13-8-4-3-5-9-13/h3-5,8-9H,1,6-7,10H2,2H3,(H,14,15).
What are the key properties of N-(4-phenylpent-4-enyl)acetamide?
N-(4-phenylpent-4-enyl)acetamide has a molecular weight of 203.28 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylpent-4-enyl)acetamide is sourced from PubChem (CID 10798197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).