3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide

C13H16N3O4+ — CID 53289812

IUPAC3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)N(C)Cc2c(=O)o[nH][n+]2C)c1
InChIInChI=1S/C13H15N3O4/c1-15(8-11-13(18)20-14-16(11)2)12(17)9-5-4-6-10(7-9)19-3/h4-7H,8H2,1-3H3/p+1
InChIKeyMMOGSYVUTCEMDI-UHFFFAOYSA-O
MW278.29 g/mol
LogP0.07
Rot. Bonds4

About 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide

3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide (PubChem CID 53289812) has the molecular formula C13H16N3O4+ and a molecular weight of 278.29 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide
PubChem CID53289812
Molecular FormulaC13H16N3O4+
Molecular Weight278.29 g/mol
Exact Mass278.11
IUPAC Name3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide
SMILESCOc1cccc(C(=O)N(C)Cc2c(=O)o[nH][n+]2C)c1
InChIInChI=1S/C13H15N3O4/c1-15(8-11-13(18)20-14-16(11)2)12(17)9-5-4-6-10(7-9)19-3/h4-7H,8H2,1-3H3/p+1
InChIKeyMMOGSYVUTCEMDI-UHFFFAOYSA-O
XLogP0.07
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]methyl]-N-methylbenzamide
CID 53289870
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
3-methoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458189
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
3-methoxy-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511572
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
N-[[3-chloro-2-[(4-chlorobenzoyl)amino]phenyl]methyl]-3-methoxy-N-methylbenzamide
CID 70702231

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide?
The IUPAC name of 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide (CID 53289812) is 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide is COc1cccc(C(=O)N(C)Cc2c(=O)o[nH][n+]2C)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide?
The InChIKey is MMOGSYVUTCEMDI-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15N3O4/c1-15(8-11-13(18)20-14-16(11)2)12(17)9-5-4-6-10(7-9)19-3/h4-7H,8H2,1-3H3/p+1.
What are the key properties of 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide?
3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide has a molecular weight of 278.29 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)methyl]benzamide is sourced from PubChem (CID 53289812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).