N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide

C11H14N2O4 — CID 134005734

IUPACN-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
SMILESCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H14N2O4/c1-4-12(2)11(14)9-7-8(13(15)16)5-6-10(9)17-3/h5-7H,4H2,1-3H3
InChIKeyFDWLAIDZTWWOST-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.70
Rot. Bonds4

About N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide

N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide (PubChem CID 134005734) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
PubChem CID134005734
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-ethyl-2-methoxy-N-methyl-5-nitrobenzamide
SMILESCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C11H14N2O4/c1-4-12(2)11(14)9-7-8(13(15)16)5-6-10(9)17-3/h5-7H,4H2,1-3H3
InChIKeyFDWLAIDZTWWOST-UHFFFAOYSA-N
XLogP1.70
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.70
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

methyl 2-[(2-methoxy-5-nitrobenzoyl)-methylamino]acetate
CID 43407682
N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methyl-5-nitrobenzamide
CID 79290778
2-chloro-N-ethyl-N-methyl-5-nitrobenzamide
CID 43243488
3-(diethylamino)-1-(2-methoxy-5-nitrophenyl)prop-2-en-1-one
CID 69494925
5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
2-methoxy-5-nitrobenzoic acid;zinc
CID 67791241
N-(1,3-benzothiazol-2-ylmethyl)-2-methoxy-N-methyl-5-nitrobenzamide
CID 9393565
2-[cyclopropyl-(2-methoxy-5-nitrobenzoyl)amino]acetic acid
CID 60826876
N-(3-aminopropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783869
N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783706
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-nitrobenzoic acid
CID 43472834
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide?
The IUPAC name of N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide (CID 134005734) is N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide.
What is the SMILES notation for N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide?
The canonical SMILES for N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide is CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide?
The InChIKey is FDWLAIDZTWWOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-12(2)11(14)9-7-8(13(15)16)5-6-10(9)17-3/h5-7H,4H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide?
N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide has a molecular weight of 238.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 134005734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).