3-methoxy-N,N-dimethyl-5-nitrobenzamide

C10H12N2O4 — CID 59352996

IUPAC3-methoxy-N,N-dimethyl-5-nitrobenzamide
SMILESCOc1cc(C(=O)N(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-11(2)10(13)7-4-8(12(14)15)6-9(5-7)16-3/h4-6H,1-3H3
InChIKeyVROASDRYYVTJRA-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.31
Rot. Bonds3

About 3-methoxy-N,N-dimethyl-5-nitrobenzamide

3-methoxy-N,N-dimethyl-5-nitrobenzamide (PubChem CID 59352996) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-methoxy-N,N-dimethyl-5-nitrobenzamide.

Molecular Properties

Compound Name3-methoxy-N,N-dimethyl-5-nitrobenzamide
PubChem CID59352996
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-methoxy-N,N-dimethyl-5-nitrobenzamide
SMILESCOc1cc(C(=O)N(C)C)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-11(2)10(13)7-4-8(12(14)15)6-9(5-7)16-3/h4-6H,1-3H3
InChIKeyVROASDRYYVTJRA-UHFFFAOYSA-N
XLogP1.31
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N,N-dimethyl-5-nitrobenzamide
CID 124705788
chloro 3-methoxy-5-nitrobenzoate
CID 140756231
1-iodo-3,5-dinitrobenzene;1-iodo-3-methoxy-5-nitrobenzene
CID 162138503
2-[(3-methoxy-5-nitrophenyl)methyl-methylamino]acetic acid
CID 81154362
N-methoxy-N-methyl-3-nitro-5-(pentafluoro-λ6-sulfanyl)benzamide
CID 58136777
N-(2,2-dimethoxyethyl)-N-methyl-3,5-dinitrobenzamide
CID 3422148
methyl 2-[(3-methoxy-5-nitrophenyl)methyl-methylamino]acetate
CID 81166044
N-[(3-methoxy-5-nitrophenyl)methylidene]hydroxylamine
CID 172625763
N-(3-methoxy-5-nitrophenyl)-N-methylazetidin-3-amine
CID 80744596
N-[4-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231135
N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide
CID 17440781
(2S)-2-amino-3-(3-methoxy-5-nitrophenyl)propanoic acid
CID 106702750

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-dimethyl-5-nitrobenzamide?
The IUPAC name of 3-methoxy-N,N-dimethyl-5-nitrobenzamide (CID 59352996) is 3-methoxy-N,N-dimethyl-5-nitrobenzamide.
What is the SMILES notation for 3-methoxy-N,N-dimethyl-5-nitrobenzamide?
The canonical SMILES for 3-methoxy-N,N-dimethyl-5-nitrobenzamide is COc1cc(C(=O)N(C)C)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-methoxy-N,N-dimethyl-5-nitrobenzamide?
The InChIKey is VROASDRYYVTJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-11(2)10(13)7-4-8(12(14)15)6-9(5-7)16-3/h4-6H,1-3H3.
What are the key properties of 3-methoxy-N,N-dimethyl-5-nitrobenzamide?
3-methoxy-N,N-dimethyl-5-nitrobenzamide has a molecular weight of 224.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-dimethyl-5-nitrobenzamide is sourced from PubChem (CID 59352996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).