N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide

C18H20N2O6 — CID 19181026

IUPACN-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1OC
InChIInChI=1S/C18H20N2O6/c1-24-15-10-9-13(20(22)23)12-14(15)19-18(21)8-5-11-26-17-7-4-3-6-16(17)25-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21)
InChIKeyKLFRRLAZIDSMDG-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.41
Rot. Bonds9

About N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide

N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide (PubChem CID 19181026) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
PubChem CID19181026
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1OC
InChIInChI=1S/C18H20N2O6/c1-24-15-10-9-13(20(22)23)12-14(15)19-18(21)8-5-11-26-17-7-4-3-6-16(17)25-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21)
InChIKeyKLFRRLAZIDSMDG-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
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 19206004
N-(5-nitro-2-propoxyphenyl)decanamide
CID 23276615
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
3-(3,4-diethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 46764321
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 927147
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841631
6-chloro-N-(5-nitro-2-propoxyphenyl)hexanamide
CID 70586700
4-butoxy-3-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2213710

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide (CID 19181026) is N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1OC.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide?
The InChIKey is KLFRRLAZIDSMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-24-15-10-9-13(20(22)23)12-14(15)19-18(21)8-5-11-26-17-7-4-3-6-16(17)25-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide?
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)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-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 19181026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).