N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide

C13H18N2O4 — CID 1406792

IUPACN-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc(OCC(=O)NC(C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-9-7-10(5-6-11(9)15(17)18)19-8-12(16)14-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyWTAOMNBADLPRPB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds4

About N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide

N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide (PubChem CID 1406792) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
PubChem CID1406792
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc(OCC(=O)NC(C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-9-7-10(5-6-11(9)15(17)18)19-8-12(16)14-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyWTAOMNBADLPRPB-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'}

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Related Compounds

2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
2-(3-methyl-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 31880526
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylacetamide
CID 8648040
2-(3-methyl-4-nitrophenoxy)-N-[(2-methylphenyl)methyl]acetamide
CID 51216495
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648197
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648147
(2S)-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8648080
2-(3-methyl-4-nitrophenoxy)-1-(2-methylphenyl)ethanone
CID 60973116

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide (CID 1406792) is N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide is Cc1cc(OCC(=O)NC(C)(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide?
The InChIKey is WTAOMNBADLPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-7-10(5-6-11(9)15(17)18)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-(3-methyl-4-nitrophenoxy)acetamide?
N-tert-butyl-2-(3-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-(3-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 1406792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).