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

C13H18N2O4 — CID 75872502

IUPACN-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide
SMILESCCC(C)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O4/c1-4-10(2)14(3)13(16)9-19-12-7-5-11(6-8-12)15(17)18/h5-8,10H,4,9H2,1-3H3
InChIKeyMHXKDBIHFKTBKY-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.23
Rot. Bonds6

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

N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide (PubChem CID 75872502) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide
PubChem CID75872502
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide
SMILESCCC(C)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O4/c1-4-10(2)14(3)13(16)9-19-12-7-5-11(6-8-12)15(17)18/h5-8,10H,4,9H2,1-3H3
InChIKeyMHXKDBIHFKTBKY-UHFFFAOYSA-N
XLogP2.23
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
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

N-(1-hydroxypropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 112704729
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-nitrophenoxy)acetamide
CID 54856792
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-methyl-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]propanoic acid
CID 62817383
N-ethyl-N-(2-hydroxyethyl)-2-(4-nitrophenoxy)acetamide
CID 60655198
(4-butan-2-ylphenyl) 2-(4-nitrophenoxy)acetate
CID 5118390
ethyl 4-[2-(N-methyl-4-nitroanilino)-2-oxoethoxy]benzoate
CID 42156725
1-[(2S)-butan-2-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 94031767
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-nitrobenzamide
CID 32943243

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide (CID 75872502) is N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide is CCC(C)N(C)C(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide?
The InChIKey is MHXKDBIHFKTBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-4-10(2)14(3)13(16)9-19-12-7-5-11(6-8-12)15(17)18/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide?
N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 75872502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).