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

C18H20N2O6 — CID 2954646

IUPACN-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccccc1OC
InChIInChI=1S/C18H20N2O6/c1-24-15-6-3-4-7-16(15)26-11-5-8-18(21)19-14-10-9-13(20(22)23)12-17(14)25-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21)
InChIKeyHIPBMJUYBOCCQA-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.41
Rot. Bonds9

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

N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide (PubChem CID 2954646) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
PubChem CID2954646
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccccc1OC
InChIInChI=1S/C18H20N2O6/c1-24-15-6-3-4-7-16(15)26-11-5-8-18(21)19-14-10-9-13(20(22)23)12-17(14)25-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,19,21)
InChIKeyHIPBMJUYBOCCQA-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-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
N-(2-methoxy-4-nitrophenyl)-3-phenylsulfanylpropanamide
CID 2975221
7-amino-N-(2-methoxy-4-nitrophenyl)heptanamide
CID 43708535
N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549588
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
2-phenylethyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781625
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871
N-(2-methoxy-4-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716313

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide (CID 2954646) is N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccccc1OC.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide?
The InChIKey is HIPBMJUYBOCCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-24-15-6-3-4-7-16(15)26-11-5-8-18(21)19-14-10-9-13(20(22)23)12-17(14)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-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide?
N-(2-methoxy-4-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-4-nitrophenyl)-4-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 2954646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).