4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide

C14H19NO2 — CID 170137214

IUPAC4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide
SMILESC/C=C\[C@@](C)(CC)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H19NO2/c1-4-10-14(3,5-2)17-12-8-6-11(7-9-12)13(15)16/h4,6-10H,5H2,1-3H3,(H2,15,16)/b10-4-/t14-/m1/s1
InChIKeyMOZKUTGJULHTDH-PXTDYPQFSA-N
MW233.31 g/mol
LogP2.91
Rot. Bonds5

About 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide

4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide (PubChem CID 170137214) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide.

Molecular Properties

Compound Name4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide
PubChem CID170137214
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide
SMILESC/C=C\[C@@](C)(CC)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H19NO2/c1-4-10-14(3,5-2)17-12-8-6-11(7-9-12)13(15)16/h4,6-10H,5H2,1-3H3,(H2,15,16)/b10-4-/t14-/m1/s1
InChIKeyMOZKUTGJULHTDH-PXTDYPQFSA-N
XLogP2.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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4-(4-ethoxyphenyl)benzamide
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4-[2-(bromomethyl)-2-ethylbutoxy]benzamide
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4-(3,3-dimethyl-4-oxobutoxy)benzamide
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4-(2-oxoethoxy)benzamide
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4-(4-propoxyphenyl)benzamide
CID 23771495
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237
4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide?
The IUPAC name of 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide (CID 170137214) is 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide.
What is the SMILES notation for 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide?
The canonical SMILES for 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide is C/C=C\[C@@](C)(CC)Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide?
The InChIKey is MOZKUTGJULHTDH-PXTDYPQFSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-10-14(3,5-2)17-12-8-6-11(7-9-12)13(15)16/h4,6-10H,5H2,1-3H3,(H2,15,16)/b10-4-/t14-/m1/s1.
What are the key properties of 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide?
4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,3R)-3-methylhex-4-en-3-yl]oxybenzamide is sourced from PubChem (CID 170137214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).