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

C17H18N2O5 — CID 2931263

IUPACN-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C17H18N2O5/c1-3-15(24-13-7-5-4-6-8-13)17(20)18-14-11-12(19(21)22)9-10-16(14)23-2/h4-11,15H,3H2,1-2H3,(H,18,20)
InChIKeyOVMXTSCGGORDEU-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.40
Rot. Bonds7

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

N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide (PubChem CID 2931263) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
PubChem CID2931263
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C17H18N2O5/c1-3-15(24-13-7-5-4-6-8-13)17(20)18-14-11-12(19(21)22)9-10-16(14)23-2/h4-11,15H,3H2,1-2H3,(H,18,20)
InChIKeyOVMXTSCGGORDEU-UHFFFAOYSA-N
XLogP3.40
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 94019296
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7555560
N-(2-methoxy-5-nitrophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133209812
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 30393331
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
phenyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 12941467
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
[(2S)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (2R)-2-phenylbutanoate
CID 8753853
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514514
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 21368486

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide (CID 2931263) is N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide?
The InChIKey is OVMXTSCGGORDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-15(24-13-7-5-4-6-8-13)17(20)18-14-11-12(19(21)22)9-10-16(14)23-2/h4-11,15H,3H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide?
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide has a molecular weight of 330.34 g/mol, XLogP of 3.40, 7 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)-2-phenoxybutanamide is sourced from PubChem (CID 2931263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).