N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide

C18H20N2O6 — CID 84549588

IUPACN-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C18H20N2O6/c1-24-13-9-10-14(17(12-13)25-2)19-18(21)8-5-11-26-16-7-4-3-6-15(16)20(22)23/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21)
InChIKeyFHCMFYTVZKTTTA-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.41
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide

N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide (PubChem CID 84549588) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
PubChem CID84549588
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C18H20N2O6/c1-24-13-9-10-14(17(12-13)25-2)19-18(21)8-5-11-26-16-7-4-3-6-15(16)20(22)23/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21)
InChIKeyFHCMFYTVZKTTTA-UHFFFAOYSA-N
XLogP3.41
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 2954646
N-(2-methylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549591
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
N-(2,3-dimethylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84550981
methyl 4-chloro-3-[4-(2-nitrophenoxy)butanoylamino]benzoate
CID 84549620
N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
CID 19173344
N-(5-acetamido-2-ethylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549843
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
methyl 4-(2-nitrophenoxy)butanoate
CID 43378076
4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 2709343
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide (CID 84549588) is N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide is COc1ccc(NC(=O)CCCOc2ccccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide?
The InChIKey is FHCMFYTVZKTTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-24-13-9-10-14(17(12-13)25-2)19-18(21)8-5-11-26-16-7-4-3-6-15(16)20(22)23/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide?
N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide has a molecular weight of 360.37 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide is sourced from PubChem (CID 84549588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).