N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide

C12H16N2O4 — CID 59092898

IUPACN-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(C(C)=O)C(C)C
InChIInChI=1S/C12H16N2O4/c1-8(2)13(9(3)15)11-7-10(14(16)17)5-6-12(11)18-4/h5-8H,1-4H3
InChIKeyJIHAHZCLOTXTLH-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.36
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide

N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide (PubChem CID 59092898) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
PubChem CID59092898
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(C(C)=O)C(C)C
InChIInChI=1S/C12H16N2O4/c1-8(2)13(9(3)15)11-7-10(14(16)17)5-6-12(11)18-4/h5-8H,1-4H3
InChIKeyJIHAHZCLOTXTLH-UHFFFAOYSA-N
XLogP2.36
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.36
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

(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
CID 57351837
N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
CID 59167877
propan-2-yl 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetate
CID 50893989
2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
N-(2-methoxy-5-nitrophenyl)propanehydrazide
CID 71146725
2-(dimethylamino)-N-(2-methoxy-5-nitrophenyl)-N-methylacetamide
CID 18980103
2-(N-(4-bromophenyl)sulfonyl-2-methoxy-5-nitroanilino)propanoic acid
CID 50894183
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-propan-2-ylacetamide
CID 5000921
N-[(2S)-butan-2-yl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide
CID 124550853
4-hydroxy-4-(2-methoxy-5-nitrophenyl)butan-2-one
CID 4641694
propan-2-yl 2-methoxy-5-nitrobenzoate
CID 112722997
N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide
CID 100500433

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide (CID 59092898) is N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide is COc1ccc([N+](=O)[O-])cc1N(C(C)=O)C(C)C.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide?
The InChIKey is JIHAHZCLOTXTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(2)13(9(3)15)11-7-10(14(16)17)5-6-12(11)18-4/h5-8H,1-4H3.
What are the key properties of N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide?
N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide has a molecular weight of 252.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 59092898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).