4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide

C20H24N2O5 — CID 8537580

IUPAC4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N2O5/c1-13-10-14(2)20(15(3)11-13)21-19(23)6-5-9-27-18-8-7-16(26-4)12-17(18)22(24)25/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)
InChIKeyXNCJHCPAQFHPEN-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.33
Rot. Bonds8

About 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide

4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 8537580) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID8537580
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCOc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N2O5/c1-13-10-14(2)20(15(3)11-13)21-19(23)6-5-9-27-18-8-7-16(26-4)12-17(18)22(24)25/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23)
InChIKeyXNCJHCPAQFHPEN-UHFFFAOYSA-N
XLogP4.33
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549588
3-(4-methoxy-2-nitrophenoxy)-N-methylpropan-1-amine
CID 29015972
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 47847319
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
4-(2-bromo-4-ethylphenoxy)-N-(4-methoxy-2-nitrophenyl)butanamide
CID 19202481
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
N-(4-methoxy-2-nitrophenyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2935158
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553
N-ethyl-2-(4-methoxy-2-nitrophenoxy)ethanamine
CID 29015980

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide (CID 8537580) is 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide is COc1ccc(OCCCC(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is XNCJHCPAQFHPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13-10-14(2)20(15(3)11-13)21-19(23)6-5-9-27-18-8-7-16(26-4)12-17(18)22(24)25/h7-8,10-12H,5-6,9H2,1-4H3,(H,21,23).
What are the key properties of 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide?
4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 372.42 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-nitrophenoxy)-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 8537580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).