2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide

C12H16N2O5 — CID 104889988

IUPAC2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1[C@@H](C)O
InChIInChI=1S/C12H16N2O5/c1-7(15)10-6-9(14(17)18)4-5-11(10)19-8(2)12(16)13-3/h4-8,15H,1-3H3,(H,13,16)/t7-,8?/m1/s1
InChIKeyOOPOYSWTISEFEI-GVHYBUMESA-N
MW268.27 g/mol
LogP1.16
Rot. Bonds5

About 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide

2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide (PubChem CID 104889988) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide
PubChem CID104889988
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1[C@@H](C)O
InChIInChI=1S/C12H16N2O5/c1-7(15)10-6-9(14(17)18)4-5-11(10)19-8(2)12(16)13-3/h4-8,15H,1-3H3,(H,13,16)/t7-,8?/m1/s1
InChIKeyOOPOYSWTISEFEI-GVHYBUMESA-N
XLogP1.16
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylpropanamide
CID 116541821
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]butan-2-ol
CID 104890180
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N,N-dimethylpropanamide
CID 116542020
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
CID 116541811
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
(1S)-1-(5-nitro-2-prop-2-enoxyphenyl)ethanol
CID 104890248
N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43277695
N-ethyl-2-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]acetamide
CID 104890441
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890078
N-ethyl-2-[2-(methylaminomethyl)-4-nitrophenoxy]propanamide
CID 43472642

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide (CID 104889988) is 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1[C@@H](C)O.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide?
The InChIKey is OOPOYSWTISEFEI-GVHYBUMESA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(15)10-6-9(14(17)18)4-5-11(10)19-8(2)12(16)13-3/h4-8,15H,1-3H3,(H,13,16)/t7-,8?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide?
2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide has a molecular weight of 268.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]-N-methylpropanamide is sourced from PubChem (CID 104889988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).