2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide

C18H19N3O5 — CID 4945414

IUPAC2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-12(2)19-18(23)15-5-3-4-6-16(15)20-17(22)11-26-14-9-7-13(8-10-14)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyQAQFTTONQBJLLW-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.75
Rot. Bonds7

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

2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide (PubChem CID 4945414) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
PubChem CID4945414
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-12(2)19-18(23)15-5-3-4-6-16(15)20-17(22)11-26-14-9-7-13(8-10-14)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyQAQFTTONQBJLLW-UHFFFAOYSA-N
XLogP2.75
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.75
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

2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 4942017
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 4951327
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945322
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide (CID 4945414) is 2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is QAQFTTONQBJLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12(2)19-18(23)15-5-3-4-6-16(15)20-17(22)11-26-14-9-7-13(8-10-14)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide?
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.75, 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)acetyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4945414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).