4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide

C18H19N3O6 — CID 46521637

IUPAC4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C18H19N3O6/c1-2-27-15-6-3-12(4-7-15)18(24)20-11-17(23)19-10-13-9-14(21(25)26)5-8-16(13)22/h3-9,22H,2,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyOVYKTNZBGARJEJ-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.75
Rot. Bonds8

About 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 46521637) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID46521637
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCc2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C18H19N3O6/c1-2-27-15-6-3-12(4-7-15)18(24)20-11-17(23)19-10-13-9-14(21(25)26)5-8-16(13)22/h3-9,22H,2,10-11H2,1H3,(H,19,23)(H,20,24)
InChIKeyOVYKTNZBGARJEJ-UHFFFAOYSA-N
XLogP1.75
TPSA130.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', '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

4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 46521650
N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide
CID 24818295
N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
CID 9224321
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-propylsulfanylacetamide
CID 47051897
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 3342317
N-[(3-ethoxyphenyl)methyl]-4-nitrobenzamide
CID 71820489
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
5-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523853

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide (CID 46521637) is 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCc2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is OVYKTNZBGARJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-2-27-15-6-3-12(4-7-15)18(24)20-11-17(23)19-10-13-9-14(21(25)26)5-8-16(13)22/h3-9,22H,2,10-11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 373.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46521637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).