N-butan-2-yl-2-(2-nitrophenoxy)acetamide

C12H16N2O4 — CID 15945219

IUPACN-butan-2-yl-2-(2-nitrophenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O4/c1-3-9(2)13-12(15)8-18-11-7-5-4-6-10(11)14(16)17/h4-7,9H,3,8H2,1-2H3,(H,13,15)
InChIKeyKOAJUQDTCGKBCU-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.89
Rot. Bonds6

About N-butan-2-yl-2-(2-nitrophenoxy)acetamide

N-butan-2-yl-2-(2-nitrophenoxy)acetamide (PubChem CID 15945219) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-nitrophenoxy)acetamide
PubChem CID15945219
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-butan-2-yl-2-(2-nitrophenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O4/c1-3-9(2)13-12(15)8-18-11-7-5-4-6-10(11)14(16)17/h4-7,9H,3,8H2,1-2H3,(H,13,15)
InChIKeyKOAJUQDTCGKBCU-UHFFFAOYSA-N
XLogP1.89
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.89
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-butan-2-yl-2-(2-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

3'-Nitro-p-acetophenetidide
CID 15685
5'-Nitro-2'-propoxyacetanilide
CID 68377
N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
4-[2-(2-Nitrophenoxy)ethyl]morpholine
CID 867361
2-Propanone, 1-(2-nitrophenoxy)-
CID 79239
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
N-(1-cyanocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 8285101
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-nitrophenoxy)acetamide
CID 16322266
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2946222

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-nitrophenoxy)acetamide (CID 15945219) is N-butan-2-yl-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-nitrophenoxy)acetamide is CCC(C)NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-2-(2-nitrophenoxy)acetamide?
The InChIKey is KOAJUQDTCGKBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-9(2)13-12(15)8-18-11-7-5-4-6-10(11)14(16)17/h4-7,9H,3,8H2,1-2H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-(2-nitrophenoxy)acetamide?
N-butan-2-yl-2-(2-nitrophenoxy)acetamide has a molecular weight of 252.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 15945219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).