N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide

C14H18INO — CID 23455674

IUPACN-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC/C=C/CCI)cc1
InChIInChI=1S/C14H18INO/c1-12(17)16-14-9-7-13(8-10-14)6-4-2-3-5-11-15/h2-3,7-10H,4-6,11H2,1H3,(H,16,17)/b3-2+
InChIKeyYGQDDSLKTITEKJ-NSCUHMNNSA-N
MW343.21 g/mol
LogP3.96
Rot. Bonds6

About N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide

N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide (PubChem CID 23455674) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide
PubChem CID23455674
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC NameN-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC/C=C/CCI)cc1
InChIInChI=1S/C14H18INO/c1-12(17)16-14-9-7-13(8-10-14)6-4-2-3-5-11-15/h2-3,7-10H,4-6,11H2,1H3,(H,16,17)/b3-2+
InChIKeyYGQDDSLKTITEKJ-NSCUHMNNSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
3-(4-acetamidophenyl)-N-tert-butylpropan-1-imine oxide
CID 10038356
[4-(2-iodoethyl)phenyl]carbamic acid
CID 66577892
5-(4-acetamidophenyl)pentanoic acid
CID 82255364
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
N-[4-(2,2-dimethylpropyl)phenyl]acetamide
CID 825793
N-[4-(trimethylsilylmethyl)phenyl]acetamide
CID 12065655
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-[4-[3-(methoxyamino)propyl]phenyl]acetamide
CID 86619588
N-(4-iodophenyl)acetamide
CID 12147
3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
CID 82224433

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide (CID 23455674) is N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide is CC(=O)Nc1ccc(CC/C=C/CCI)cc1.
What is the InChIKey of N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide?
The InChIKey is YGQDDSLKTITEKJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H18INO/c1-12(17)16-14-9-7-13(8-10-14)6-4-2-3-5-11-15/h2-3,7-10H,4-6,11H2,1H3,(H,16,17)/b3-2+.
What are the key properties of N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide?
N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide has a molecular weight of 343.21 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide is sourced from PubChem (CID 23455674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).