N-butan-2-yl-2-(4-nitrophenoxy)acetamide

C12H16N2O4 — CID 4810367

IUPACN-butan-2-yl-2-(4-nitrophenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O4/c1-3-9(2)13-12(15)8-18-11-6-4-10(5-7-11)14(16)17/h4-7,9H,3,8H2,1-2H3,(H,13,15)
InChIKeyYXKSHECNFHPDPC-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.89
Rot. Bonds6

About N-butan-2-yl-2-(4-nitrophenoxy)acetamide

N-butan-2-yl-2-(4-nitrophenoxy)acetamide (PubChem CID 4810367) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-nitrophenoxy)acetamide
PubChem CID4810367
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-butan-2-yl-2-(4-nitrophenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O4/c1-3-9(2)13-12(15)8-18-11-6-4-10(5-7-11)14(16)17/h4-7,9H,3,8H2,1-2H3,(H,13,15)
InChIKeyYXKSHECNFHPDPC-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'}

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Related Compounds

2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7769987
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
CID 60708304
N-[(2S)-butan-2-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406901
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
CID 55849368
N-butan-2-yl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 17198813
N-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253554
N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253549
N-butan-2-yl-2-(3-fluoro-4-nitrophenoxy)acetamide
CID 47449672
2-(4-bromophenoxy)-N-[(2S)-butan-2-yl]acetamide
CID 888398
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-nitrophenoxy)acetamide (CID 4810367) is N-butan-2-yl-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-nitrophenoxy)acetamide is CCC(C)NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-butan-2-yl-2-(4-nitrophenoxy)acetamide?
The InChIKey is YXKSHECNFHPDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-9(2)13-12(15)8-18-11-6-4-10(5-7-11)14(16)17/h4-7,9H,3,8H2,1-2H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-(4-nitrophenoxy)acetamide?
N-butan-2-yl-2-(4-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-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 4810367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).