2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide

C18H20N2O5 — CID 4943938

IUPAC2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O5/c1-3-12-24-15-10-8-14(9-11-15)19-18(21)13(2)25-17-7-5-4-6-16(17)20(22)23/h4-11,13H,3,12H2,1-2H3,(H,19,21)
InChIKeyHYKCHVRCPNTHBH-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.79
Rot. Bonds8

About 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide

2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide (PubChem CID 4943938) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
PubChem CID4943938
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H20N2O5/c1-3-12-24-15-10-8-14(9-11-15)19-18(21)13(2)25-17-7-5-4-6-16(17)20(22)23/h4-11,13H,3,12H2,1-2H3,(H,19,21)
InChIKeyHYKCHVRCPNTHBH-UHFFFAOYSA-N
XLogP3.79
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
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-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943658
(2R)-N-(4-iodophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205324
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413
N-(2-methoxyethyl)-4-[2-(2-nitrophenoxy)propanoylamino]benzamide
CID 17218280
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
N-[4-[acetyl(methyl)amino]phenyl]-2-(2-nitrophenoxy)propanamide
CID 4943664
2-(2-nitrophenoxy)-N-[4-[9-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]fluoren-9-yl]phenyl]propanamide
CID 4944896
N-(4-hexoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 4951338

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide (CID 4943938) is 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide is CCCOc1ccc(NC(=O)C(C)Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide?
The InChIKey is HYKCHVRCPNTHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-12-24-15-10-8-14(9-11-15)19-18(21)13(2)25-17-7-5-4-6-16(17)20(22)23/h4-11,13H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide?
2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide has a molecular weight of 344.37 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 4943938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).