3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide

C11H14N2O5 — CID 104890078

IUPAC3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
SMILESC[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCC(N)=O
InChIInChI=1S/C11H14N2O5/c1-7(14)9-6-8(13(16)17)2-3-10(9)18-5-4-11(12)15/h2-3,6-7,14H,4-5H2,1H3,(H2,12,15)/t7-/m1/s1
InChIKeyXSBLTZMJRHEFRA-SSDOTTSWSA-N
MW254.24 g/mol
LogP0.90
Rot. Bonds6

About 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide

3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide (PubChem CID 104890078) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
PubChem CID104890078
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
SMILESC[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCC(N)=O
InChIInChI=1S/C11H14N2O5/c1-7(14)9-6-8(13(16)17)2-3-10(9)18-5-4-11(12)15/h2-3,6-7,14H,4-5H2,1H3,(H2,12,15)/t7-/m1/s1
InChIKeyXSBLTZMJRHEFRA-SSDOTTSWSA-N
XLogP0.90
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.90
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

(1R)-1-[2-(2-fluoroethoxy)-5-nitrophenyl]ethanol
CID 104890135
(1S)-1-[2-(3-methylbut-3-enoxy)-5-nitrophenyl]ethanol
CID 104929606
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
N-cyclopropyl-3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890101
N-cyclopropyl-3-[2-[(1S)-1-hydroxyethyl]-4-nitrophenoxy]propanamide
CID 104890356
3-(2-methyl-5-nitrophenoxy)propanamide
CID 61059962
(1S)-1-(5-nitro-2-pent-4-ynoxyphenyl)ethanol
CID 104890437
(1R)-1-[5-nitro-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
CID 106726363
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]acetonitrile
CID 116542044
(1S)-1-(5-nitro-2-prop-2-enoxyphenyl)ethanol
CID 104890248
2-[2-(1-hydroxyethyl)-4-nitrophenoxy]-N-methylacetamide
CID 116541811
(1R)-1-[5-nitro-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 104890123

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide?
The IUPAC name of 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide (CID 104890078) is 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide.
What is the SMILES notation for 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide?
The canonical SMILES for 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide is C[C@@H](O)c1cc([N+](=O)[O-])ccc1OCCC(N)=O.
What is the InChIKey of 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide?
The InChIKey is XSBLTZMJRHEFRA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(14)9-6-8(13(16)17)2-3-10(9)18-5-4-11(12)15/h2-3,6-7,14H,4-5H2,1H3,(H2,12,15)/t7-/m1/s1.
What are the key properties of 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide?
3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide has a molecular weight of 254.24 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1R)-1-hydroxyethyl]-4-nitrophenoxy]propanamide is sourced from PubChem (CID 104890078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).