3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide

C17H18N2O5 — CID 26575664

IUPAC3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC
InChIInChI=1S/C17H18N2O5/c1-4-24-16-9-12(6-8-15(16)23-3)17(20)18-13-7-5-11(2)14(10-13)19(21)22/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyFKBRFBHVRCSTCZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.56
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide

3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 26575664) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID26575664
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC
InChIInChI=1S/C17H18N2O5/c1-4-24-16-9-12(6-8-15(16)23-3)17(20)18-13-7-5-11(2)14(10-13)19(21)22/h5-10H,4H2,1-3H3,(H,18,20)
InChIKeyFKBRFBHVRCSTCZ-UHFFFAOYSA-N
XLogP3.56
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide
CID 32689206
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-3-nitrobenzamide
CID 26774419
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-3-nitrobenzamide
CID 9100253
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 3776414
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
N-(3-acetamido-4-methylphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55746807
4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
N-[(3,4-diethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 99997707

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide (CID 26575664) is 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide is CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is FKBRFBHVRCSTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-4-24-16-9-12(6-8-15(16)23-3)17(20)18-13-7-5-11(2)14(10-13)19(21)22/h5-10H,4H2,1-3H3,(H,18,20).
What are the key properties of 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide?
3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 330.34 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 26575664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).