3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

C18H18N2O6 — CID 1178404

IUPAC3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1
InChIInChI=1S/C18H18N2O6/c1-24-14-7-4-12(17(11-14)26-3)5-9-18(21)19-15-10-13(20(22)23)6-8-16(15)25-2/h4-11H,1-3H3,(H,19,21)
InChIKeyJPEHYBGAXUMQLN-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.27
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide (PubChem CID 1178404) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
PubChem CID1178404
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1
InChIInChI=1S/C18H18N2O6/c1-24-14-7-4-12(17(11-14)26-3)5-9-18(21)19-15-10-13(20(22)23)6-8-16(15)25-2/h4-11H,1-3H3,(H,19,21)
InChIKeyJPEHYBGAXUMQLN-UHFFFAOYSA-N
XLogP3.27
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

(E)-3-(2-bromophenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 46809317
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
3-(4-tert-butylphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1291349
(E)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6276091
N-(2-methoxy-4-nitrophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2793351
(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2268412
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7043369
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 1191358
(E)-3-(2,4-dimethoxyphenyl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide
CID 25062136
(E)-3-(2-methoxyphenyl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 6272482
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 19206504

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide (CID 1178404) is 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide?
The InChIKey is JPEHYBGAXUMQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-24-14-7-4-12(17(11-14)26-3)5-9-18(21)19-15-10-13(20(22)23)6-8-16(15)25-2/h4-11H,1-3H3,(H,19,21).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide?
3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide has a molecular weight of 358.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 1178404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).