2-hept-6-en-2-yloxybenzamide

C14H19NO2 — CID 126716745

IUPAC2-hept-6-en-2-yloxybenzamide
SMILESC=CCCCC(C)Oc1ccccc1C(N)=O
InChIInChI=1S/C14H19NO2/c1-3-4-5-8-11(2)17-13-10-7-6-9-12(13)14(15)16/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,15,16)
InChIKeyOKWBYPZPGIOSFL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.91
Rot. Bonds7

About 2-hept-6-en-2-yloxybenzamide

2-hept-6-en-2-yloxybenzamide (PubChem CID 126716745) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-hept-6-en-2-yloxybenzamide.

Molecular Properties

Compound Name2-hept-6-en-2-yloxybenzamide
PubChem CID126716745
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-hept-6-en-2-yloxybenzamide
SMILESC=CCCCC(C)Oc1ccccc1C(N)=O
InChIInChI=1S/C14H19NO2/c1-3-4-5-8-11(2)17-13-10-7-6-9-12(13)14(15)16/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,15,16)
InChIKeyOKWBYPZPGIOSFL-UHFFFAOYSA-N
XLogP2.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxyhex-5-enoxy)benzamide
CID 145277814
3-amino-4-oct-7-en-2-yloxy-2-phenylbenzoic acid
CID 68571654
2-(1-fluoroethoxy)benzamide
CID 57150200
2-O-(4-methylpentyl) 1-O-pent-4-enyl benzene-1,2-dicarboxylate
CID 91719910
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
hept-6-en-2-yl phenyl carbonate
CID 139630372
2-octan-2-yloxybenzoyl chloride
CID 76502840
2-[(2S)-octan-2-yl]oxybenzoyl chloride
CID 57274426
(2-carbamoylphenyl) (2S)-2-aminopropanoate
CID 174745717
bis(2-carbamoylphenyl) propanedioate;but-2-ene
CID 162215150
2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
2-(2-carbamoylphenoxy)-3-methylbutanoic acid
CID 18073009

Frequently Asked Questions

What is the IUPAC name of 2-hept-6-en-2-yloxybenzamide?
The IUPAC name of 2-hept-6-en-2-yloxybenzamide (CID 126716745) is 2-hept-6-en-2-yloxybenzamide.
What is the SMILES notation for 2-hept-6-en-2-yloxybenzamide?
The canonical SMILES for 2-hept-6-en-2-yloxybenzamide is C=CCCCC(C)Oc1ccccc1C(N)=O.
What is the InChIKey of 2-hept-6-en-2-yloxybenzamide?
The InChIKey is OKWBYPZPGIOSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-5-8-11(2)17-13-10-7-6-9-12(13)14(15)16/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,15,16).
What are the key properties of 2-hept-6-en-2-yloxybenzamide?
2-hept-6-en-2-yloxybenzamide has a molecular weight of 233.31 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-6-en-2-yloxybenzamide is sourced from PubChem (CID 126716745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).