(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide

C17H16N2O5 — CID 2632124

IUPAC(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H16N2O5/c1-11(20)13-4-3-5-14(10-13)18-17(21)12(2)24-16-8-6-15(7-9-16)19(22)23/h3-10,12H,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyHUYSSLXQOGSRAV-GFCCVEGCSA-N
MW328.32 g/mol
LogP3.20
Rot. Bonds6

About (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide

(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide (PubChem CID 2632124) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
PubChem CID2632124
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C17H16N2O5/c1-11(20)13-4-3-5-14(10-13)18-17(21)12(2)24-16-8-6-15(7-9-16)19(22)23/h3-10,12H,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyHUYSSLXQOGSRAV-GFCCVEGCSA-N
XLogP3.20
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.20
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-methyl-N-[3-[2-(4-nitrophenoxy)propanoylamino]phenyl]propanamide
CID 17189238
N-(3-methylphenyl)-3-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43877491
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide
CID 17079629
methyl 3-[2-(4-acetylphenoxy)propanoylamino]benzoate
CID 17413178
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
(2S)-N-(4-methylphenyl)-2-(4-nitrophenoxy)propanamide
CID 2632168
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549
(2R)-N-(3-acetylphenyl)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 51906069
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide (CID 2632124) is (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is HUYSSLXQOGSRAV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-11(20)13-4-3-5-14(10-13)18-17(21)12(2)24-16-8-6-15(7-9-16)19(22)23/h3-10,12H,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide?
(2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide has a molecular weight of 328.32 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 2632124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).