N-(3-phenylprop-2-enyl)hexanamide

C15H21NO — CID 54485378

IUPACN-(3-phenylprop-2-enyl)hexanamide
SMILESCCCCCC(=O)NCC=Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-5-12-15(17)16-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3,(H,16,17)
InChIKeyXRXRNRJEYVLSGZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.40
Rot. Bonds7

About N-(3-phenylprop-2-enyl)hexanamide

N-(3-phenylprop-2-enyl)hexanamide (PubChem CID 54485378) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3-phenylprop-2-enyl)hexanamide.

Molecular Properties

Compound NameN-(3-phenylprop-2-enyl)hexanamide
PubChem CID54485378
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(3-phenylprop-2-enyl)hexanamide
SMILESCCCCCC(=O)NCC=Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-2-3-5-12-15(17)16-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3,(H,16,17)
InChIKeyXRXRNRJEYVLSGZ-UHFFFAOYSA-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

methyl 8-oxo-8-(3-phenylprop-2-enylamino)octanoate
CID 66958561
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N-[(E)-4-phenylbut-3-enyl]pentanamide
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3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide
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(Z)-1-phenyltetradec-1-en-3-one
CID 98536945
1-phenylundec-1-en-3-one
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N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260
3-phenylprop-2-enylcarbamothioic S-acid
CID 173357040
3-(2-chloroethylsulfonyl)-N-(3-phenylprop-2-enyl)propanamide
CID 54519102
4-(oxan-4-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
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N-benzylundecanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-enyl)hexanamide?
The IUPAC name of N-(3-phenylprop-2-enyl)hexanamide (CID 54485378) is N-(3-phenylprop-2-enyl)hexanamide.
What is the SMILES notation for N-(3-phenylprop-2-enyl)hexanamide?
The canonical SMILES for N-(3-phenylprop-2-enyl)hexanamide is CCCCCC(=O)NCC=Cc1ccccc1.
What is the InChIKey of N-(3-phenylprop-2-enyl)hexanamide?
The InChIKey is XRXRNRJEYVLSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-5-12-15(17)16-13-8-11-14-9-6-4-7-10-14/h4,6-11H,2-3,5,12-13H2,1H3,(H,16,17).
What are the key properties of N-(3-phenylprop-2-enyl)hexanamide?
N-(3-phenylprop-2-enyl)hexanamide 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-(3-phenylprop-2-enyl)hexanamide is sourced from PubChem (CID 54485378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).