N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide

C25H26N2O4 — CID 53266665

IUPACN-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C25H26N2O4/c1-17-10-13-21(16-23(17)27(29)30)26-24(28)18(2)31-22-14-11-20(12-15-22)25(3,4)19-8-6-5-7-9-19/h5-16,18H,1-4H3,(H,26,28)
InChIKeyKTNIMEQBIJBCEM-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.64
Rot. Bonds7

About N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide

N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide (PubChem CID 53266665) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
PubChem CID53266665
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C25H26N2O4/c1-17-10-13-21(16-23(17)27(29)30)26-24(28)18(2)31-22-14-11-20(12-15-22)25(3,4)19-8-6-5-7-9-19/h5-16,18H,1-4H3,(H,26,28)
InChIKeyKTNIMEQBIJBCEM-UHFFFAOYSA-N
XLogP5.64
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.64
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

2-(3,5-dimethylphenoxy)-N-(4-methyl-3-nitrophenyl)propanamide
CID 53266244
N-(3-fluorophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266696
(2R)-N-(3,4-dimethylphenyl)-2-(2-nitrophenoxy)propanamide
CID 9205295
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide
CID 53266709
2-(3,5-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 3381118
ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
CID 143201282
N-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
2,3-dimethyl-4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid
CID 103496212
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
(2R)-2-(4-cyanophenoxy)-N-(4-fluoro-3-nitrophenyl)propanamide
CID 7831539

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide (CID 53266665) is N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide is Cc1ccc(NC(=O)C(C)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide?
The InChIKey is KTNIMEQBIJBCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-17-10-13-21(16-23(17)27(29)30)26-24(28)18(2)31-22-14-11-20(12-15-22)25(3,4)19-8-6-5-7-9-19/h5-16,18H,1-4H3,(H,26,28).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide?
N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide has a molecular weight of 418.49 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanamide is sourced from PubChem (CID 53266665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).