N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide

C18H18N2O6 — CID 154763377

IUPACN-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide
SMILESCOc1ccc(OC(C)C(=O)c2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N2O6/c1-11(18(22)13-4-6-14(7-5-13)19-12(2)21)26-17-9-8-15(25-3)10-16(17)20(23)24/h4-11H,1-3H3,(H,19,21)
InChIKeyOXXDFLCCYKKKMR-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.21
Rot. Bonds7

About N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide

N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide (PubChem CID 154763377) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide
PubChem CID154763377
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide
SMILESCOc1ccc(OC(C)C(=O)c2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H18N2O6/c1-11(18(22)13-4-6-14(7-5-13)19-12(2)21)26-17-9-8-15(25-3)10-16(17)20(23)24/h4-11H,1-3H3,(H,19,21)
InChIKeyOXXDFLCCYKKKMR-UHFFFAOYSA-N
XLogP3.21
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7473538
N-[4-[(2R)-2-(4-methyl-2-nitrophenoxy)propanoyl]phenyl]butanamide
CID 39952567
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-methoxy-2-nitrophenoxy)propan-1-one
CID 8880777
(2S)-2-(2-methoxy-5-nitrophenoxy)-1-(4-methoxyphenyl)propan-1-one
CID 7931835
(2R)-1-[4-(difluoromethoxy)phenyl]-2-(4-methyl-2-nitrophenoxy)propan-1-one
CID 8560303
N-[4-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-4-nitrobenzamide
CID 19645248
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide
CID 7979689
(2R)-N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8560082
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide (CID 154763377) is N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide is COc1ccc(OC(C)C(=O)c2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide?
The InChIKey is OXXDFLCCYKKKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-11(18(22)13-4-6-14(7-5-13)19-12(2)21)26-17-9-8-15(25-3)10-16(17)20(23)24/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide?
N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide has a molecular weight of 358.35 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide is sourced from PubChem (CID 154763377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).