(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide

C16H16N2O5 — CID 30377777

IUPAC(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O5/c1-11(23-15-8-4-7-14(10-15)22-2)16(19)17-12-5-3-6-13(9-12)18(20)21/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyRIZPALCIAOHUIJ-NSHDSACASA-N
MW316.31 g/mol
LogP3.01
Rot. Bonds6

About (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide

(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide (PubChem CID 30377777) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
PubChem CID30377777
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H16N2O5/c1-11(23-15-8-4-7-14(10-15)22-2)16(19)17-12-5-3-6-13(9-12)18(20)21/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyRIZPALCIAOHUIJ-NSHDSACASA-N
XLogP3.01
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.01
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-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
4-[[(2S)-2-(3-nitrophenoxy)propanoyl]amino]benzamide
CID 7865285
2-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
(2S)-2-(2-chlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 2631902
(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
(2S)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 2656706
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 21368486
(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-nitrophenoxy)propanamide
CID 7865187
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-nitrophenoxy)propanamide
CID 7865185
1-(3-nitrophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]propanoylamino]urea
CID 17377710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide (CID 30377777) is (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide is COc1cccc(O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide?
The InChIKey is RIZPALCIAOHUIJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11(23-15-8-4-7-14(10-15)22-2)16(19)17-12-5-3-6-13(9-12)18(20)21/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide?
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide has a molecular weight of 316.31 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 30377777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).