(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

C17H18N2O5 — CID 719492

IUPAC(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C17H18N2O5/c1-11-4-5-13(19(21)22)10-16(11)18-17(20)12(2)24-15-8-6-14(23-3)7-9-15/h4-10,12H,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyMHMCDKSRHHBSGL-LBPRGKRZSA-N
MW330.34 g/mol
LogP3.32
Rot. Bonds6

About (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide

(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 719492) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID719492
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C17H18N2O5/c1-11-4-5-13(19(21)22)10-16(11)18-17(20)12(2)24-15-8-6-14(23-3)7-9-15/h4-10,12H,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyMHMCDKSRHHBSGL-LBPRGKRZSA-N
XLogP3.32
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.32
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'}

Analyze (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 4944716
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2R)-2-(2-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 99951167
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide (CID 719492) is (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is COc1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is MHMCDKSRHHBSGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11-4-5-13(19(21)22)10-16(11)18-17(20)12(2)24-15-8-6-14(23-3)7-9-15/h4-10,12H,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide?
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 330.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 719492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).