2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide

C20H23N3O5 — CID 17220959

IUPAC2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O5/c1-2-15-3-6-17(7-4-15)28-14-20(24)21-18-8-5-16(23(25)26)13-19(18)22-9-11-27-12-10-22/h3-8,13H,2,9-12,14H2,1H3,(H,21,24)
InChIKeyIMZZKXJGRJPZSO-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.01
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide

2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide (PubChem CID 17220959) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide
PubChem CID17220959
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O5/c1-2-15-3-6-17(7-4-15)28-14-20(24)21-18-8-5-16(23(25)26)13-19(18)22-9-11-27-12-10-22/h3-8,13H,2,9-12,14H2,1H3,(H,21,24)
InChIKeyIMZZKXJGRJPZSO-UHFFFAOYSA-N
XLogP3.01
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-ethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3389799
2-(4-ethylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3921183
(4-ethylphenyl) 2-morpholin-4-yl-5-nitrobenzoate
CID 16959286
N-(2-bromo-4-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 53268222
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
3-butoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220869
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844670
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-(2-morpholin-4-yl-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 17220867
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide (CID 17220959) is 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide is CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide?
The InChIKey is IMZZKXJGRJPZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-2-15-3-6-17(7-4-15)28-14-20(24)21-18-8-5-16(23(25)26)13-19(18)22-9-11-27-12-10-22/h3-8,13H,2,9-12,14H2,1H3,(H,21,24).
What are the key properties of 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide?
2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(2-morpholin-4-yl-4-nitrophenyl)acetamide is sourced from PubChem (CID 17220959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).