2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide

C20H24N3O6+ — CID 9338299

IUPAC2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O6/c1-27-17-6-7-19(18(12-17)23(25)26)29-14-20(24)21-16-4-2-15(3-5-16)13-22-8-10-28-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)/p+1
InChIKeyNVFNIMDUTGNTSI-UHFFFAOYSA-O
MW402.43 g/mol
LogP1.04
Rot. Bonds8

About 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide

2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide (PubChem CID 9338299) has the molecular formula C20H24N3O6+ and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
PubChem CID9338299
Molecular FormulaC20H24N3O6+
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC Name2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O6/c1-27-17-6-7-19(18(12-17)23(25)26)29-14-20(24)21-16-4-2-15(3-5-16)13-22-8-10-28-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)/p+1
InChIKeyNVFNIMDUTGNTSI-UHFFFAOYSA-O
XLogP1.04
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
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'}

Analyze 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
2-(2-chlorophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
CID 7315056
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
(4-methoxyphenyl)methyl-methyl-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8793434
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2563855
2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide
CID 7447475
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
methyl 4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-nitrobenzoate
CID 30122444
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide (CID 9338299) is 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide is COc1ccc(OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The InChIKey is NVFNIMDUTGNTSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O6/c1-27-17-6-7-19(18(12-17)23(25)26)29-14-20(24)21-16-4-2-15(3-5-16)13-22-8-10-28-11-9-22/h2-7,12H,8-11,13-14H2,1H3,(H,21,24)/p+1.
What are the key properties of 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-nitrophenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 9338299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).