4-methoxy-N-methyl-N-oxidobenzamide

C9H10NO3- — CID 15105733

IUPAC4-methoxy-N-methyl-N-oxidobenzamide
SMILESCOc1ccc(C(=O)N(C)[O-])cc1
InChIInChI=1S/C9H10NO3/c1-10(12)9(11)7-3-5-8(13-2)6-4-7/h3-6H,1-2H3/q-1
InChIKeyPALXGDQFSPXUDJ-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.26
Rot. Bonds2

About 4-methoxy-N-methyl-N-oxidobenzamide

4-methoxy-N-methyl-N-oxidobenzamide (PubChem CID 15105733) has the molecular formula C9H10NO3- and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-oxidobenzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-oxidobenzamide
PubChem CID15105733
Molecular FormulaC9H10NO3-
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name4-methoxy-N-methyl-N-oxidobenzamide
SMILESCOc1ccc(C(=O)N(C)[O-])cc1
InChIInChI=1S/C9H10NO3/c1-10(12)9(11)7-3-5-8(13-2)6-4-7/h3-6H,1-2H3/q-1
InChIKeyPALXGDQFSPXUDJ-UHFFFAOYSA-N
XLogP1.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
CID 104556200
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
4-methoxybenzoic acid;hydrobromide
CID 172731707
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
4-methoxybenzoic acid;silver
CID 140722019
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
2,2,2-triiodo-1-(4-methoxyphenyl)ethanone
CID 86080929

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-oxidobenzamide?
The IUPAC name of 4-methoxy-N-methyl-N-oxidobenzamide (CID 15105733) is 4-methoxy-N-methyl-N-oxidobenzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-oxidobenzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-oxidobenzamide is COc1ccc(C(=O)N(C)[O-])cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-oxidobenzamide?
The InChIKey is PALXGDQFSPXUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10NO3/c1-10(12)9(11)7-3-5-8(13-2)6-4-7/h3-6H,1-2H3/q-1.
What are the key properties of 4-methoxy-N-methyl-N-oxidobenzamide?
4-methoxy-N-methyl-N-oxidobenzamide has a molecular weight of 180.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-oxidobenzamide is sourced from PubChem (CID 15105733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).