(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide

C17H18N2O5 — CID 8956638

IUPAC(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-11-7-8-16(23-3)15(9-11)18-17(20)12(2)24-14-6-4-5-13(10-14)19(21)22/h4-10,12H,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyMOQDAUGGSOVNGJ-LBPRGKRZSA-N
MW330.34 g/mol
LogP3.32
Rot. Bonds6

About (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide

(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide (PubChem CID 8956638) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
PubChem CID8956638
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-11-7-8-16(23-3)15(9-11)18-17(20)12(2)24-14-6-4-5-13(10-14)19(21)22/h4-10,12H,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyMOQDAUGGSOVNGJ-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'}

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Related Compounds

2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354
1-(2-methoxy-5-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]urea
CID 2954956
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2R)-2-(4-acetylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763707
(2S)-N-(2,4-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947097
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632230
(2R)-N-(2-bromo-4-methylphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947249
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 2632132

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide (CID 8956638) is (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide is COc1ccc(C)cc1NC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide?
The InChIKey is MOQDAUGGSOVNGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-11-7-8-16(23-3)15(9-11)18-17(20)12(2)24-14-6-4-5-13(10-14)19(21)22/h4-10,12H,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide?
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)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)-N-(2-methoxy-5-methylphenyl)-2-(3-nitrophenoxy)propanamide is sourced from PubChem (CID 8956638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).