N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide

C11H14N2O4 — CID 121221118

IUPACN-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide
SMILESCOC(C)N(C(C)=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-8(14)12(9(2)17-3)10-4-6-11(7-5-10)13(15)16/h4-7,9H,1-3H3
InChIKeyXLESDMDYPAOUMR-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.94
Rot. Bonds4

About N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide

N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide (PubChem CID 121221118) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide
PubChem CID121221118
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide
SMILESCOC(C)N(C(C)=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H14N2O4/c1-8(14)12(9(2)17-3)10-4-6-11(7-5-10)13(15)16/h4-7,9H,1-3H3
InChIKeyXLESDMDYPAOUMR-UHFFFAOYSA-N
XLogP1.94
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898
2-(dimethylamino)-N-(4-nitrophenyl)-N-propan-2-ylacetamide
CID 23507202
N-(4-nitrophenyl)-N-trimethylsilylacetamide
CID 172736262
methyl 2-(N-methyl-4-nitroanilino)-3-oxobutanoate
CID 10880011
methyl 2-(4-nitro-N-propan-2-ylanilino)acetate
CID 62006673
N-(4-nitrophenyl)-N-(trifluoromethyl)acetamide
CID 56945017
(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-N-(4-nitrophenyl)butanamide
CID 122173506
2-(N-methyl-4-nitroanilino)ethyl acetate
CID 91724161
1-chloroethyl N-methyl-N-(4-nitrophenyl)carbamate
CID 70215263
(Z)-[N-(1-carboxyethyl)-4-nitroanilino]-hydroxyimino-oxidoazanium
CID 135446131
methyl N-tert-butyl-N-(4-nitrophenyl)carbamate
CID 121230079
(2S)-2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-nitroanilino]-2-nitroacetic acid
CID 121003968

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide (CID 121221118) is N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide is COC(C)N(C(C)=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide?
The InChIKey is XLESDMDYPAOUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-8(14)12(9(2)17-3)10-4-6-11(7-5-10)13(15)16/h4-7,9H,1-3H3.
What are the key properties of N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide?
N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide has a molecular weight of 238.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 121221118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).