N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide

C13H18N2O4 — CID 1406582

IUPACN-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-9-7-10(15(17)18)5-6-11(9)19-8-12(16)14-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyAJMYKCACULHDKZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds4

About N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide

N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide (PubChem CID 1406582) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
PubChem CID1406582
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)NC(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-9-7-10(15(17)18)5-6-11(9)19-8-12(16)14-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyAJMYKCACULHDKZ-UHFFFAOYSA-N
XLogP2.20
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.20
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'}

Analyze N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 75389379
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-tert-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 965412
N-(2-methoxyethyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 2072497
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406605
3-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoic acid
CID 53264010
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide (CID 1406582) is N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide is Cc1cc([N+](=O)[O-])ccc1OCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide?
The InChIKey is AJMYKCACULHDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-7-10(15(17)18)5-6-11(9)19-8-12(16)14-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16).
What are the key properties of N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide?
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 1406582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).