(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

C18H20N2O5 — CID 8941253

IUPAC(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O5/c1-4-24-16-8-6-5-7-14(16)19-18(21)13(3)25-17-10-9-12(2)11-15(17)20(22)23/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyBOJUIZXXHMVKMW-ZDUSSCGKSA-N
MW344.37 g/mol
LogP3.71
Rot. Bonds7

About (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide

(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (PubChem CID 8941253) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
PubChem CID8941253
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C18H20N2O5/c1-4-24-16-8-6-5-7-14(16)19-18(21)13(3)25-17-10-9-12(2)11-15(17)20(22)23/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyBOJUIZXXHMVKMW-ZDUSSCGKSA-N
XLogP3.71
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.71
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)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 8956882
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
(2R)-N-(2-ethoxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837498
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147
1-[3-(2-ethoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2285595
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941358
(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2-nitrophenoxy)propanamide
CID 8569316

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide (CID 8941253) is (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The InChIKey is BOJUIZXXHMVKMW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-24-16-8-6-5-7-14(16)19-18(21)13(3)25-17-10-9-12(2)11-15(17)20(22)23/h5-11,13H,4H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide has a molecular weight of 344.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8941253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).