2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

C18H20N2O5 — CID 53266234

IUPAC2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C18H20N2O5/c1-11-7-12(2)9-15(8-11)25-13(3)18(21)19-16-6-5-14(20(22)23)10-17(16)24-4/h5-10,13H,1-4H3,(H,19,21)
InChIKeyGZJJGPGSEGOROA-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.63
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 53266234) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID53266234
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C18H20N2O5/c1-11-7-12(2)9-15(8-11)25-13(3)18(21)19-16-6-5-14(20(22)23)10-17(16)24-4/h5-10,13H,1-4H3,(H,19,21)
InChIKeyGZJJGPGSEGOROA-UHFFFAOYSA-N
XLogP3.63
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.63
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

(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2R)-2-(3,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8580012
(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7763855
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
CID 7851039
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7757422
(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947249
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
CID 8956638

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (CID 53266234) is 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(C)Oc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is GZJJGPGSEGOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11-7-12(2)9-15(8-11)25-13(3)18(21)19-16-6-5-14(20(22)23)10-17(16)24-4/h5-10,13H,1-4H3,(H,19,21).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide has a molecular weight of 344.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 53266234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).