3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide

C18H18N2O5 — CID 32689206

IUPAC3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-4-9-25-16-8-6-13(10-17(16)24-3)18(21)19-14-7-5-12(2)15(11-14)20(22)23/h4-8,10-11H,1,9H2,2-3H3,(H,19,21)
InChIKeyZLAGSIYBDMFMQV-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.73
Rot. Bonds7

About 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide

3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide (PubChem CID 32689206) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide
PubChem CID32689206
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C18H18N2O5/c1-4-9-25-16-8-6-13(10-17(16)24-3)18(21)19-14-7-5-12(2)15(11-14)20(22)23/h4-8,10-11H,1,9H2,2-3H3,(H,19,21)
InChIKeyZLAGSIYBDMFMQV-UHFFFAOYSA-N
XLogP3.73
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 26575664
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
1-(5-methoxy-2-nitro-4-prop-2-enoxyphenyl)ethanone;1-(3-methoxy-4-prop-2-enoxyphenyl)ethanone
CID 160898664
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
3-methoxy-N-[2-(2-nitroanilino)ethyl]-4-prop-2-enoxybenzamide
CID 41275702
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
4-(4-chloro-2-nitrophenoxy)-N-(3,4-dimethylphenyl)-3-methoxybenzamide
CID 18281892
N-[3-methoxy-4-(pentanoylamino)phenyl]-4-methyl-3-nitrobenzamide
CID 3776414
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide (CID 32689206) is 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide?
The InChIKey is ZLAGSIYBDMFMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-4-9-25-16-8-6-13(10-17(16)24-3)18(21)19-14-7-5-12(2)15(11-14)20(22)23/h4-8,10-11H,1,9H2,2-3H3,(H,19,21).
What are the key properties of 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide?
3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide has a molecular weight of 342.35 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 32689206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).