(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide

C20H22N2O6 — CID 9295896

IUPAC(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H22N2O6/c1-14(28-18-10-6-16(7-11-18)22(24)25)20(23)21-15-4-8-17(9-5-15)27-13-19-3-2-12-26-19/h4-11,14,19H,2-3,12-13H2,1H3,(H,21,23)/t14-,19-/m0/s1
InChIKeyRYJXMIHMCZICAC-LIRRHRJNSA-N
MW386.40 g/mol
LogP3.56
Rot. Bonds8

About (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide

(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide (PubChem CID 9295896) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide
PubChem CID9295896
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C20H22N2O6/c1-14(28-18-10-6-16(7-11-18)22(24)25)20(23)21-15-4-8-17(9-5-15)27-13-19-3-2-12-26-19/h4-11,14,19H,2-3,12-13H2,1H3,(H,21,23)/t14-,19-/m0/s1
InChIKeyRYJXMIHMCZICAC-LIRRHRJNSA-N
XLogP3.56
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7354724
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
(E)-3-(4-nitrophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17186947
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295727
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 119712739
2-chloro-5-nitro-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 78788516
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide?
The IUPAC name of (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide (CID 9295896) is (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide is C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide?
The InChIKey is RYJXMIHMCZICAC-LIRRHRJNSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-14(28-18-10-6-16(7-11-18)22(24)25)20(23)21-15-4-8-17(9-5-15)27-13-19-3-2-12-26-19/h4-11,14,19H,2-3,12-13H2,1H3,(H,21,23)/t14-,19-/m0/s1.
What are the key properties of (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide?
(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide has a molecular weight of 386.40 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide is sourced from PubChem (CID 9295896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).