4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide

C18H19N3O5 — CID 17218797

IUPAC4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-2-11-19-18(23)13-7-9-14(10-8-13)20-17(22)12-26-16-6-4-3-5-15(16)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyNRSHCEMJAFIZHB-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.75
Rot. Bonds8

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

4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide (PubChem CID 17218797) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
PubChem CID17218797
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19N3O5/c1-2-11-19-18(23)13-7-9-14(10-8-13)20-17(22)12-26-16-6-4-3-5-15(16)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyNRSHCEMJAFIZHB-UHFFFAOYSA-N
XLogP2.75
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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

N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
4-tert-butyl-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 3894529
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
3-methylbutyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 19169490
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propylbenzamide
CID 17218734
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986783

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide (CID 17218797) is 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide?
The InChIKey is NRSHCEMJAFIZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-2-11-19-18(23)13-7-9-14(10-8-13)20-17(22)12-26-16-6-4-3-5-15(16)21(24)25/h3-10H,2,11-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide?
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 17218797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).