N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide

C17H18N2O5 — CID 2289671

IUPACN-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C17H18N2O5/c1-23-16-10-9-13(19(21)22)12-15(16)18-17(20)8-5-11-24-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,20)
InChIKeyPOVHTRCWMYFZNG-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.40
Rot. Bonds8

About N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide

N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide (PubChem CID 2289671) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide
PubChem CID2289671
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1
InChIInChI=1S/C17H18N2O5/c1-23-16-10-9-13(19(21)22)12-15(16)18-17(20)8-5-11-24-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,20)
InChIKeyPOVHTRCWMYFZNG-UHFFFAOYSA-N
XLogP3.40
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.40
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-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
3'-Nitro-p-acetophenetidide
CID 15685
Ace-011
CID 2877953
5'-Nitro-2'-propoxyacetanilide
CID 68377
N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
Acetanilide, 4'-(p-nitrophenoxy)-
CID 165015
4'-Methoxy-3'-nitroacetanilide
CID 95043
N,N'-bis(2-methoxyphenyl)hexanediamide
CID 2165672
N-[4-(3-amino-5-nitrophenoxy)phenyl]acetamide
CID 2861723
N~1~,N~3~-Bis(2-methoxyphenyl)propanediamide
CID 685575
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
N-(2-methoxy-5-nitrophenyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 1260384

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide (CID 2289671) is N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide?
The InChIKey is POVHTRCWMYFZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-16-10-9-13(19(21)22)12-15(16)18-17(20)8-5-11-24-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide?
N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide has a molecular weight of 330.34 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-4-phenoxybutanamide is sourced from PubChem (CID 2289671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).