2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide

C14H16N2O5 — CID 115774350

IUPAC2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C14H16N2O5/c1-9(17)12-7-11(16(19)20)5-6-13(12)21-8-14(18)15(2)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3
InChIKeyKNRBFASUBQCOAG-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.80
Rot. Bonds6

About 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide

2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide (PubChem CID 115774350) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide
PubChem CID115774350
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide
SMILESCC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)N(C)C1CC1
InChIInChI=1S/C14H16N2O5/c1-9(17)12-7-11(16(19)20)5-6-13(12)21-8-14(18)15(2)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3
InChIKeyKNRBFASUBQCOAG-UHFFFAOYSA-N
XLogP1.80
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

methyl 2-(2-acetyl-4-nitrophenoxy)acetate
CID 13499189
1-[2-(2-methoxyethoxy)-5-nitrophenyl]ethanone
CID 62872855
2-(2-acetyl-4-nitrophenoxy)-N-ethylacetamide
CID 115774349
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-nitrobenzoic acid
CID 43472834
1-[2-[(5-methyloxolan-2-yl)methoxy]-5-nitrophenyl]ethanone
CID 103134377
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
1-[2-(3-methoxypropoxy)-5-nitrophenyl]ethanone
CID 62873760
O-(2-acetyl-4-nitrophenyl) N,N-dimethylcarbamothioate
CID 72735076
1-[2-[(2R)-3-bromo-2-hydroxypropoxy]-5-nitrophenyl]ethanone
CID 11427119
1-[2-(3-methylsulfonylpropoxy)-5-nitrophenyl]ethanone
CID 115774331
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-nitrophenyl]ethanone
CID 64520771

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide (CID 115774350) is 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide is CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)N(C)C1CC1.
What is the InChIKey of 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide?
The InChIKey is KNRBFASUBQCOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-9(17)12-7-11(16(19)20)5-6-13(12)21-8-14(18)15(2)10-3-4-10/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide?
2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide has a molecular weight of 292.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 115774350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).