3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide

C24H23N3O5 — CID 43877823

IUPAC3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C24H23N3O5/c1-16(18-9-4-3-5-10-18)25-24(29)19-11-8-12-20(15-19)26-23(28)17(2)32-22-14-7-6-13-21(22)27(30)31/h3-17H,1-2H3,(H,25,29)(H,26,28)
InChIKeyFBFMOMIYINPROD-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.49
Rot. Bonds8

About 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide

3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide (PubChem CID 43877823) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide
PubChem CID43877823
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C24H23N3O5/c1-16(18-9-4-3-5-10-18)25-24(29)19-11-8-12-20(15-19)26-23(28)17(2)32-22-14-7-6-13-21(22)27(30)31/h3-17H,1-2H3,(H,25,29)(H,26,28)
InChIKeyFBFMOMIYINPROD-UHFFFAOYSA-N
XLogP4.49
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.49
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-(2-phenoxypropanoylamino)-N-(1-phenylethyl)benzamide
CID 43877796
N-(3-chloro-4-fluorophenyl)-3-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 43877935
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
3-[(3-nitrobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40740169
(2S)-2-(2-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 7819322
(2S)-N-(3-cyanophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819136
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide (CID 43877823) is 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is FBFMOMIYINPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-16(18-9-4-3-5-10-18)25-24(29)19-11-8-12-20(15-19)26-23(28)17(2)32-22-14-7-6-13-21(22)27(30)31/h3-17H,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide?
3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 433.46 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-nitrophenoxy)propanoylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 43877823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).