2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide

C23H21N3O4 — CID 5187996

IUPAC2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
SMILESCCC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-22(19-10-8-18(9-11-19)17-6-4-3-5-7-17)24-25-23(27)16-30-21-14-12-20(13-15-21)26(28)29/h3-15H,2,16H2,1H3,(H,25,27)
InChIKeyWTCOEIUVIQGCSF-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.57
Rot. Bonds8

About 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide

2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide (PubChem CID 5187996) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
PubChem CID5187996
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
SMILESCCC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4/c1-2-22(19-10-8-18(9-11-19)17-6-4-3-5-7-17)24-25-23(27)16-30-21-14-12-20(13-15-21)26(28)29/h3-15H,2,16H2,1H3,(H,25,27)
InChIKeyWTCOEIUVIQGCSF-UHFFFAOYSA-N
XLogP4.57
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
N-[(E)-1-(4-phenylphenyl)propylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6385300
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 6268412
N-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909337
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
4-nitro-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3279473

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide (CID 5187996) is 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide is CCC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide?
The InChIKey is WTCOEIUVIQGCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-2-22(19-10-8-18(9-11-19)17-6-4-3-5-7-17)24-25-23(27)16-30-21-14-12-20(13-15-21)26(28)29/h3-15H,2,16H2,1H3,(H,25,27).
What are the key properties of 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide?
2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide has a molecular weight of 403.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide is sourced from PubChem (CID 5187996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).