N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C20H25N3O4 — CID 78745371

IUPACN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCC(C)c1ccc(C(NC(=O)COc2cccnc2[N+](=O)[O-])C(C)C)cc1
InChIInChI=1S/C20H25N3O4/c1-13(2)15-7-9-16(10-8-15)19(14(3)4)22-18(24)12-27-17-6-5-11-21-20(17)23(25)26/h5-11,13-14,19H,12H2,1-4H3,(H,22,24)
InChIKeyFTRWIWCZYMLIGS-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.01
Rot. Bonds8

About N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 78745371) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID78745371
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESCC(C)c1ccc(C(NC(=O)COc2cccnc2[N+](=O)[O-])C(C)C)cc1
InChIInChI=1S/C20H25N3O4/c1-13(2)15-7-9-16(10-8-15)19(14(3)4)22-18(24)12-27-17-6-5-11-21-20(17)23(25)26/h5-11,13-14,19H,12H2,1-4H3,(H,22,24)
InChIKeyFTRWIWCZYMLIGS-UHFFFAOYSA-N
XLogP4.01
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.01
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-[(2-nitro-3-pyridinyl)oxy]-N-(1-phenylethyl)acetamide
CID 18077327
2-[(2-nitro-3-pyridinyl)oxy]-N-(propan-2-ylcarbamoyl)acetamide
CID 3493079
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40575021
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 40551951
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
N-cyclopropyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3578333
2-(2-hydroxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 78813413
2-(2-ethoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050837
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
N-benzhydryl-N-methyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 29347080
N-[4-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]phenyl]propanamide
CID 16959114

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 78745371) is N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is CC(C)c1ccc(C(NC(=O)COc2cccnc2[N+](=O)[O-])C(C)C)cc1.
What is the InChIKey of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is FTRWIWCZYMLIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)15-7-9-16(10-8-15)19(14(3)4)22-18(24)12-27-17-6-5-11-21-20(17)23(25)26/h5-11,13-14,19H,12H2,1-4H3,(H,22,24).
What are the key properties of N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 78745371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).