3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide

C24H23N3O5 — CID 55847377

IUPAC3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O5/c28-23(16-26-24(29)20-7-4-8-21(15-20)27(30)31)25-14-13-18-9-11-22(12-10-18)32-17-19-5-2-1-3-6-19/h1-12,15H,13-14,16-17H2,(H,25,28)(H,26,29)
InChIKeyOHRICBIDEKXPCT-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.26
Rot. Bonds10

About 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide

3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide (PubChem CID 55847377) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide
PubChem CID55847377
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O5/c28-23(16-26-24(29)20-7-4-8-21(15-20)27(30)31)25-14-13-18-9-11-22(12-10-18)32-17-19-5-2-1-3-6-19/h1-12,15H,13-14,16-17H2,(H,25,28)(H,26,29)
InChIKeyOHRICBIDEKXPCT-UHFFFAOYSA-N
XLogP3.26
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-nitro-N-[2-oxo-2-[(3-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 60515233
3-nitro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 27774214
3-nitro-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
CID 40728196
N-benzyl-3-nitro(11C)benzamide
CID 71606846
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
3-(difluoromethoxy)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 51160991
N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitrobenzamide
CID 8781305
2-(4-ethoxyphenoxy)ethyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269466
N-[2-oxo-2-(2-phenylethylamino)ethyl]naphthalene-2-carboxamide
CID 27670981
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
4-chloro-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 60517936
(4-methylphenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269465

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide?
The IUPAC name of 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide (CID 55847377) is 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide is O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide?
The InChIKey is OHRICBIDEKXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c28-23(16-26-24(29)20-7-4-8-21(15-20)27(30)31)25-14-13-18-9-11-22(12-10-18)32-17-19-5-2-1-3-6-19/h1-12,15H,13-14,16-17H2,(H,25,28)(H,26,29).
What are the key properties of 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide?
3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide has a molecular weight of 433.46 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-oxo-2-[2-(4-phenylmethoxyphenyl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 55847377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).