(2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide

C17H18N2O5 — CID 8639611

IUPAC(2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@@H](C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C17H18N2O5/c1-18(2)17(20)16(12-7-5-4-6-8-12)24-15-11-13(19(21)22)9-10-14(15)23-3/h4-11,16H,1-3H3/t16-/m1/s1
InChIKeyGEQLTMWKQJSOEN-MRXNPFEDSA-N
MW330.34 g/mol
LogP2.81
Rot. Bonds6

About (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide

(2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide (PubChem CID 8639611) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide
PubChem CID8639611
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@@H](C(=O)N(C)C)c1ccccc1
InChIInChI=1S/C17H18N2O5/c1-18(2)17(20)16(12-7-5-4-6-8-12)24-15-11-13(19(21)22)9-10-14(15)23-3/h4-11,16H,1-3H3/t16-/m1/s1
InChIKeyGEQLTMWKQJSOEN-MRXNPFEDSA-N
XLogP2.81
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
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 (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide 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

(2-methoxy-5-nitrophenyl) 2,2-diphenylacetate
CID 8908474
1-methoxy-4-nitro-2-[(1S)-1-(3-nitrophenyl)ethoxy]benzene
CID 9356044
2-(2-methoxy-5-nitrophenoxy)butanoic acid
CID 43808815
(2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947301
2-(1-chloroethoxy)-1-methoxy-4-nitrobenzene
CID 174987281
4-(2-methoxy-5-nitrophenoxy)pentanoic acid
CID 62213612
1-methoxy-4-nitro-2-(4-phenylbutan-2-yloxy)benzene
CID 70163100
2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid
CID 70136769
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
(2R)-2-(2-methoxy-5-nitrophenoxy)propanenitrile
CID 8946929
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 8640746
N-benzhydryl-2-methoxy-5-nitroaniline
CID 2489016

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide (CID 8639611) is (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide is COc1ccc([N+](=O)[O-])cc1O[C@@H](C(=O)N(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide?
The InChIKey is GEQLTMWKQJSOEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-18(2)17(20)16(12-7-5-4-6-8-12)24-15-11-13(19(21)22)9-10-14(15)23-3/h4-11,16H,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide?
(2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide has a molecular weight of 330.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxy-5-nitrophenoxy)-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 8639611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).