3-[(Z)-2-methylpent-2-enoxy]benzamide

C13H17NO2 — CID 156902473

IUPAC3-[(Z)-2-methylpent-2-enoxy]benzamide
SMILESCC/C=C(/C)COc1cccc(C(N)=O)c1
InChIInChI=1S/C13H17NO2/c1-3-5-10(2)9-16-12-7-4-6-11(8-12)13(14)15/h4-8H,3,9H2,1-2H3,(H2,14,15)/b10-5-
InChIKeyFDGMOASVKCKZPF-YHYXMXQVSA-N
MW219.28 g/mol
LogP2.52
Rot. Bonds5

About 3-[(Z)-2-methylpent-2-enoxy]benzamide

3-[(Z)-2-methylpent-2-enoxy]benzamide (PubChem CID 156902473) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[(Z)-2-methylpent-2-enoxy]benzamide.

Molecular Properties

Compound Name3-[(Z)-2-methylpent-2-enoxy]benzamide
PubChem CID156902473
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[(Z)-2-methylpent-2-enoxy]benzamide
SMILESCC/C=C(/C)COc1cccc(C(N)=O)c1
InChIInChI=1S/C13H17NO2/c1-3-5-10(2)9-16-12-7-4-6-11(8-12)13(14)15/h4-8H,3,9H2,1-2H3,(H2,14,15)/b10-5-
InChIKeyFDGMOASVKCKZPF-YHYXMXQVSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.52
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

3-propoxybenzamide
CID 22311435
4-(3-carbamoylphenoxy)-2-ethylbut-2-enoic acid
CID 77100563
3-[(Z)-3-chloro-2-methylprop-2-enoxy]benzoic acid
CID 106436639
ethyl 4-[2-(3-carbamoylphenoxy)acetyl]piperazine-1-carboxylate
CID 51088119
3-(2-phenylethoxy)benzamide
CID 17135006
3-(5-butoxypentoxy)benzamide
CID 71713772
3-[(Z)-non-2-enoxy]benzamide
CID 59403054
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
3-(10-bromodecoxy)benzamide
CID 59402968
3-(6-bromohexoxy)benzamide
CID 59402930
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
3-(3-amino-2-methyl-3-sulfanylidenepropoxy)benzamide
CID 82147616

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-methylpent-2-enoxy]benzamide?
The IUPAC name of 3-[(Z)-2-methylpent-2-enoxy]benzamide (CID 156902473) is 3-[(Z)-2-methylpent-2-enoxy]benzamide.
What is the SMILES notation for 3-[(Z)-2-methylpent-2-enoxy]benzamide?
The canonical SMILES for 3-[(Z)-2-methylpent-2-enoxy]benzamide is CC/C=C(/C)COc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(Z)-2-methylpent-2-enoxy]benzamide?
The InChIKey is FDGMOASVKCKZPF-YHYXMXQVSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-5-10(2)9-16-12-7-4-6-11(8-12)13(14)15/h4-8H,3,9H2,1-2H3,(H2,14,15)/b10-5-.
What are the key properties of 3-[(Z)-2-methylpent-2-enoxy]benzamide?
3-[(Z)-2-methylpent-2-enoxy]benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-methylpent-2-enoxy]benzamide is sourced from PubChem (CID 156902473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).