4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

C19H20N4O5 — CID 3560480

IUPAC4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NN=Cc2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N4O5/c1-13-3-4-14(11-17(13)23(26)27)12-21-22-18(24)9-10-20-19(25)15-5-7-16(28-2)8-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyKOIWLZZGCFJVGH-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.18
Rot. Bonds8

About 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide

4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 3560480) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID3560480
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
SMILESCOc1ccc(C(=O)NCCC(=O)NN=Cc2ccc(C)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H20N4O5/c1-13-3-4-14(11-17(13)23(26)27)12-21-22-18(24)9-10-20-19(25)15-5-7-16(28-2)8-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyKOIWLZZGCFJVGH-UHFFFAOYSA-N
XLogP2.18
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide (CID 3560480) is 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is COc1ccc(C(=O)NCCC(=O)NN=Cc2ccc(C)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is KOIWLZZGCFJVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-13-3-4-14(11-17(13)23(26)27)12-21-22-18(24)9-10-20-19(25)15-5-7-16(28-2)8-6-15/h3-8,11-12H,9-10H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide?
4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 384.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 3560480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).