N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide

C17H17N3O5 — CID 17204887

IUPACN-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-2-16(21)18-12-7-9-13(10-8-12)19-17(22)11-25-15-6-4-3-5-14(15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyWCSROOZUXWOTNI-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.96
Rot. Bonds7

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

N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 17204887) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
PubChem CID17204887
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O5/c1-2-16(21)18-12-7-9-13(10-8-12)19-17(22)11-25-15-6-4-3-5-14(15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyWCSROOZUXWOTNI-UHFFFAOYSA-N
XLogP2.96
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.96
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-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
ethyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717216
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986783
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 4931088
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789063
3-methylbutyl 4-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 19169490

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide (CID 17204887) is N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is WCSROOZUXWOTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-2-16(21)18-12-7-9-13(10-8-12)19-17(22)11-25-15-6-4-3-5-14(15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide?
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 343.34 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 17204887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).