2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

C18H19N3O6 — CID 6881954

IUPAC2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O6/c1-25-14-6-4-12(5-7-14)11-19-20-18(22)9-13-8-16(26-2)17(27-3)10-15(13)21(23)24/h4-8,10-11H,9H2,1-3H3,(H,20,22)/b19-11+
InChIKeyHKRQZVVVXPCPOE-YBFXNURJSA-N
MW373.37 g/mol
LogP2.31
Rot. Bonds8

About 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide

2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6881954) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID6881954
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O6/c1-25-14-6-4-12(5-7-14)11-19-20-18(22)9-13-8-16(26-2)17(27-3)10-15(13)21(23)24/h4-8,10-11H,9H2,1-3H3,(H,20,22)/b19-11+
InChIKeyHKRQZVVVXPCPOE-YBFXNURJSA-N
XLogP2.31
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 6881954) is 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is HKRQZVVVXPCPOE-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-25-14-6-4-12(5-7-14)11-19-20-18(22)9-13-8-16(26-2)17(27-3)10-15(13)21(23)24/h4-8,10-11H,9H2,1-3H3,(H,20,22)/b19-11+.
What are the key properties of 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 373.37 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-nitrophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6881954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).