3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide

C11H13N3O5 — CID 3757561

IUPAC3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O5/c12-10(15)5-6-13-11(16)7-19-9-3-1-8(2-4-9)14(17)18/h1-4H,5-7H2,(H2,12,15)(H,13,16)
InChIKeyUHZNGRZEEUFIGA-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.03
Rot. Bonds7

About 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide

3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide (PubChem CID 3757561) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
PubChem CID3757561
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide
SMILESNC(=O)CCNC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13N3O5/c12-10(15)5-6-13-11(16)7-19-9-3-1-8(2-4-9)14(17)18/h1-4H,5-7H2,(H2,12,15)(H,13,16)
InChIKeyUHZNGRZEEUFIGA-UHFFFAOYSA-N
XLogP-0.03
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.03
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'}

Analyze 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide 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

N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
(4-nitrophenyl) 3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 19195677
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
N-(6-hydroxyhexyl)-2-(4-nitrophenoxy)acetamide
CID 103919606
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-(3-hydroxypentyl)-2-(4-nitrophenoxy)acetamide
CID 115703818
N-(3-ethoxypropyl)-2-(4-nitrophenoxy)acetamide
CID 27680554
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 52940822
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
CID 19174635
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide?
The IUPAC name of 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide (CID 3757561) is 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide?
The canonical SMILES for 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide is NC(=O)CCNC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide?
The InChIKey is UHZNGRZEEUFIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c12-10(15)5-6-13-11(16)7-19-9-3-1-8(2-4-9)14(17)18/h1-4H,5-7H2,(H2,12,15)(H,13,16).
What are the key properties of 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide?
3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide has a molecular weight of 267.24 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-nitrophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 3757561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).