[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate

C15H14N2O7 — CID 2087577

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H14N2O7/c1-9-3-4-11(22-2)10(7-9)16-13(18)8-23-15(19)12-5-6-14(24-12)17(20)21/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyQCCPCRVPPDZXDG-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.30
Rot. Bonds6

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate (PubChem CID 2087577) has the molecular formula C15H14N2O7 and a molecular weight of 334.28 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
PubChem CID2087577
Molecular FormulaC15H14N2O7
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H14N2O7/c1-9-3-4-11(22-2)10(7-9)16-13(18)8-23-15(19)12-5-6-14(24-12)17(20)21/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyQCCPCRVPPDZXDG-UHFFFAOYSA-N
XLogP2.30
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxylate
CID 1626744
N-(4-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 774010
5-nitro-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 757090
N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 2805919
N-(2-methoxyphenyl)-5-nitrofuran-2-carboxamide
CID 694009
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
[2-Oxo-2-(3-phenylpropylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 2099057
4-Methoxy-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester
CID 2338070
[2-(2,6-Dimethylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2380164
[2-(4-Fluoroanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
CID 2387351
[2-Oxo-2-(2-phenylethylamino)ethyl] 5-nitrofuran-2-carboxylate
CID 5072871
N-(4-carbamoylphenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 1225419

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate (CID 2087577) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate is COc1ccc(C)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The InChIKey is QCCPCRVPPDZXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7/c1-9-3-4-11(22-2)10(7-9)16-13(18)8-23-15(19)12-5-6-14(24-12)17(20)21/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate has a molecular weight of 334.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 5-nitrofuran-2-carboxylate is sourced from PubChem (CID 2087577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).