[3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate

C25H23N3O7 — CID 3928955

IUPAC[3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C25H23N3O7/c29-23(14-18-5-2-1-3-6-18)26-15-24(30)27-16-25(31)34-17-19-7-4-8-22(13-19)35-21-11-9-20(10-12-21)28(32)33/h1-13H,14-17H2,(H,26,29)(H,27,30)
InChIKeyAXKXVEFDBYISCM-UHFFFAOYSA-N
MW477.47 g/mol
LogP2.91
Rot. Bonds11

About [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate

[3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (PubChem CID 3928955) has the molecular formula C25H23N3O7 and a molecular weight of 477.47 g/mol. Its IUPAC name is [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name[3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
PubChem CID3928955
Molecular FormulaC25H23N3O7
Molecular Weight477.47 g/mol
Exact Mass477.15
IUPAC Name[3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
SMILESO=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C25H23N3O7/c29-23(14-18-5-2-1-3-6-18)26-15-24(30)27-16-25(31)34-17-19-7-4-8-22(13-19)35-21-11-9-20(10-12-21)28(32)33/h1-13H,14-17H2,(H,26,29)(H,27,30)
InChIKeyAXKXVEFDBYISCM-UHFFFAOYSA-N
XLogP2.91
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-nitrophenoxy)phenyl]methyl 2-(propanoylamino)acetate
CID 5027418
[3-(4-nitrophenoxy)phenyl]methyl 2-(4-chlorophenyl)acetate
CID 126182645
[3-(4-nitrophenoxy)phenyl]methyl benzoate
CID 126177903
[3-(4-nitrophenoxy)phenyl]methyl 4-(4-nitroanilino)-4-oxobutanoate
CID 126186422
benzyl 3-(4-nitrophenoxy)benzoate
CID 957442
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
[3-(4-nitrophenoxy)phenyl]methyl 2-anilinobenzoate
CID 126187083
[3-(4-nitrophenoxy)phenyl]methyl naphthalene-1-carboxylate
CID 3953343
[3-(4-nitrophenoxy)phenyl]methyl thiophene-2-carboxylate
CID 5026526
(3-nitrophenyl)methyl 2-[[2-[(4-bromobenzoyl)amino]acetyl]amino]acetate
CID 5161518
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
[3-(4-nitrophenoxy)phenyl]methyl 4-tert-butylbenzoate
CID 126184221

Frequently Asked Questions

What is the IUPAC name of [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The IUPAC name of [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate (CID 3928955) is [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
The InChIKey is AXKXVEFDBYISCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O7/c29-23(14-18-5-2-1-3-6-18)26-15-24(30)27-16-25(31)34-17-19-7-4-8-22(13-19)35-21-11-9-20(10-12-21)28(32)33/h1-13H,14-17H2,(H,26,29)(H,27,30).
What are the key properties of [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate?
[3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate has a molecular weight of 477.47 g/mol, XLogP of 2.91, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-nitrophenoxy)phenyl]methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 3928955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).