(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide

C19H22N2O4 — CID 7503731

IUPAC(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-14(12-13-16-8-4-3-5-9-16)20-19(22)15(2)25-18-11-7-6-10-17(18)21(23)24/h3-11,14-15H,12-13H2,1-2H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyWDJOODWPNYKHDY-HUUCEWRRSA-N
MW342.40 g/mol
LogP3.50
Rot. Bonds8

About (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide

(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide (PubChem CID 7503731) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
PubChem CID7503731
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H22N2O4/c1-14(12-13-16-8-4-3-5-9-16)20-19(22)15(2)25-18-11-7-6-10-17(18)21(23)24/h3-11,14-15H,12-13H2,1-2H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyWDJOODWPNYKHDY-HUUCEWRRSA-N
XLogP3.50
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
2-(2-nitrophenoxy)-N-[8-[2-(2-nitrophenoxy)propanoylamino]octyl]propanamide
CID 17233381
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
2-[2-(2-nitrophenoxy)propanoylamino]ethyl nitrate
CID 15839962
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4943654
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-2-(2-nitrophenoxy)-N-prop-2-enylpropanamide
CID 9205576
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 5-nitrothiophene-2-carboxylate
CID 7459051
[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 4-chloro-2-nitrobenzoate
CID 16958940
N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide
CID 4944324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide (CID 7503731) is (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide is C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
The InChIKey is WDJOODWPNYKHDY-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(12-13-16-8-4-3-5-9-16)20-19(22)15(2)25-18-11-7-6-10-17(18)21(23)24/h3-11,14-15H,12-13H2,1-2H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide?
(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide is sourced from PubChem (CID 7503731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).