N-methyl-3-(3-methylbut-2-enoxy)benzamide

C13H17NO2 — CID 86992210

IUPACN-methyl-3-(3-methylbut-2-enoxy)benzamide
SMILESCNC(=O)c1cccc(OCC=C(C)C)c1
InChIInChI=1S/C13H17NO2/c1-10(2)7-8-16-12-6-4-5-11(9-12)13(15)14-3/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyGLCMRBYQBCWFBH-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-3-(3-methylbut-2-enoxy)benzamide

N-methyl-3-(3-methylbut-2-enoxy)benzamide (PubChem CID 86992210) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-methyl-3-(3-methylbut-2-enoxy)benzamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylbut-2-enoxy)benzamide
PubChem CID86992210
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-methyl-3-(3-methylbut-2-enoxy)benzamide
SMILESCNC(=O)c1cccc(OCC=C(C)C)c1
InChIInChI=1S/C13H17NO2/c1-10(2)7-8-16-12-6-4-5-11(9-12)13(15)14-3/h4-7,9H,8H2,1-3H3,(H,14,15)
InChIKeyGLCMRBYQBCWFBH-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.39
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

(2S)-2-[[3-(3-methylbut-2-enoxy)benzoyl]amino]propanoic acid
CID 119238437
N-(4-hydroxycyclohexyl)-3-(3-methylbut-2-enoxy)benzamide
CID 111462854
N-[2-[(1S)-1-hydroxy-2-methylpropyl]phenyl]-3-(3-methylbut-2-enoxy)benzamide
CID 97251410
2-[methyl-[3-(3-methylbut-2-enoxy)benzoyl]amino]propanoic acid
CID 119209407
methyl 4-[[1-[3-(3-methylbut-2-enoxy)phenyl]-1-oxopropan-2-yl]amino]benzoate
CID 132504518
2-[cyclopropyl-[3-(3-methylbut-2-enoxy)benzoyl]amino]acetic acid
CID 119195282
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(3-methylbut-2-enoxy)benzamide
CID 111478508
3-[(2-fluorophenyl)methoxy]-N-methylbenzamide
CID 13176420
3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 146084564
2-[1-[3-(3-methylbut-2-enoxy)benzoyl]piperidin-4-yl]acetic acid
CID 119178622
ethyl N-[2-[3-(3-methylbut-2-enoxy)phenoxy]ethyl]carbamate
CID 19816571
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylbut-2-enoxy)benzamide?
The IUPAC name of N-methyl-3-(3-methylbut-2-enoxy)benzamide (CID 86992210) is N-methyl-3-(3-methylbut-2-enoxy)benzamide.
What is the SMILES notation for N-methyl-3-(3-methylbut-2-enoxy)benzamide?
The canonical SMILES for N-methyl-3-(3-methylbut-2-enoxy)benzamide is CNC(=O)c1cccc(OCC=C(C)C)c1.
What is the InChIKey of N-methyl-3-(3-methylbut-2-enoxy)benzamide?
The InChIKey is GLCMRBYQBCWFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)7-8-16-12-6-4-5-11(9-12)13(15)14-3/h4-7,9H,8H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-3-(3-methylbut-2-enoxy)benzamide?
N-methyl-3-(3-methylbut-2-enoxy)benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylbut-2-enoxy)benzamide is sourced from PubChem (CID 86992210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).