N-[(E)-pent-3-enyl]-3-phenylpropanamide

C14H19NO — CID 101244691

IUPACN-[(E)-pent-3-enyl]-3-phenylpropanamide
SMILESC/C=C/CCNC(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-7-12-15-14(16)11-10-13-8-5-4-6-9-13/h2-6,8-9H,7,10-12H2,1H3,(H,15,16)/b3-2+
InChIKeyLIEQFPAPPBMSMB-NSCUHMNNSA-N
MW217.31 g/mol
LogP2.70
Rot. Bonds6

About N-[(E)-pent-3-enyl]-3-phenylpropanamide

N-[(E)-pent-3-enyl]-3-phenylpropanamide (PubChem CID 101244691) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]-3-phenylpropanamide
PubChem CID101244691
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(E)-pent-3-enyl]-3-phenylpropanamide
SMILESC/C=C/CCNC(=O)CCc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-7-12-15-14(16)11-10-13-8-5-4-6-9-13/h2-6,8-9H,7,10-12H2,1H3,(H,15,16)/b3-2+
InChIKeyLIEQFPAPPBMSMB-NSCUHMNNSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
pent-3-enylbenzene
CID 519421
acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
CID 170949279
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]-3-phenylpropanamide?
The IUPAC name of N-[(E)-pent-3-enyl]-3-phenylpropanamide (CID 101244691) is N-[(E)-pent-3-enyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-pent-3-enyl]-3-phenylpropanamide is C/C=C/CCNC(=O)CCc1ccccc1.
What is the InChIKey of N-[(E)-pent-3-enyl]-3-phenylpropanamide?
The InChIKey is LIEQFPAPPBMSMB-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-7-12-15-14(16)11-10-13-8-5-4-6-9-13/h2-6,8-9H,7,10-12H2,1H3,(H,15,16)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]-3-phenylpropanamide?
N-[(E)-pent-3-enyl]-3-phenylpropanamide has a molecular weight of 217.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]-3-phenylpropanamide is sourced from PubChem (CID 101244691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).