4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

C20H23N3O5 — CID 4930536

IUPAC4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCCCCCCOc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C20H23N3O5/c1-2-3-4-5-12-28-18-9-6-15(7-10-18)20(25)22-21-14-16-13-17(23(26)27)8-11-19(16)24/h6-11,13-14,24H,2-5,12H2,1H3,(H,22,25)
InChIKeyUBTSBUUFTZTLBF-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.02
Rot. Bonds10

About 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide

4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 4930536) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID4930536
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCCCCCCOc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C20H23N3O5/c1-2-3-4-5-12-28-18-9-6-15(7-10-18)20(25)22-21-14-16-13-17(23(26)27)8-11-19(16)24/h6-11,13-14,24H,2-5,12H2,1H3,(H,22,25)
InChIKeyUBTSBUUFTZTLBF-UHFFFAOYSA-N
XLogP4.02
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927415
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
N-[(E)-(2-chloro-4-nonoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506613
4-(2-amino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3828860
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 135678488
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 3098486
4-[(4-bromophenyl)methoxy]-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 171131713
N-[(E)-(2-bromo-4-nitrophenyl)methylideneamino]-4-propoxybenzamide
CID 133169663
3-nitro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7676203
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3694397
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide (CID 4930536) is 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is CCCCCCOc1ccc(C(=O)NN=Cc2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is UBTSBUUFTZTLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-3-4-5-12-28-18-9-6-15(7-10-18)20(25)22-21-14-16-13-17(23(26)27)8-11-19(16)24/h6-11,13-14,24H,2-5,12H2,1H3,(H,22,25).
What are the key properties of 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide?
4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 385.42 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 4930536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).