2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide

C19H21N3O5 — CID 4951327

IUPAC2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O5/c1-12(2)20-19(24)16-6-4-5-7-17(16)21-18(23)13(3)27-15-10-8-14(9-11-15)22(25)26/h4-13H,1-3H3,(H,20,24)(H,21,23)
InChIKeyKCGZIFHTJPCVII-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.14
Rot. Bonds7

About 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide

2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 4951327) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID4951327
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O5/c1-12(2)20-19(24)16-6-4-5-7-17(16)21-18(23)13(3)27-15-10-8-14(9-11-15)22(25)26/h4-13H,1-3H3,(H,20,24)(H,21,23)
InChIKeyKCGZIFHTJPCVII-UHFFFAOYSA-N
XLogP3.14
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.14
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 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide 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-[2-(azepane-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951317
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
N-(2-cyanophenyl)-2-(4-nitrophenoxy)propanamide
CID 4951222
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
N-benzyl-N-methyl-2-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 4951315
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
2-[[(2S)-2-phenoxypropanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 29448293
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 26242811

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide (CID 4951327) is 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is KCGZIFHTJPCVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12(2)20-19(24)16-6-4-5-7-17(16)21-18(23)13(3)27-15-10-8-14(9-11-15)22(25)26/h4-13H,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide?
2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 371.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4951327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).