N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide

C16H17N3O5 — CID 46450103

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H17N3O5/c1-3-11-6-4-5-7-12(11)17-14(20)10-18(2)16(21)13-8-9-15(24-13)19(22)23/h4-9H,3,10H2,1-2H3,(H,17,20)
InChIKeyCFEAQJHOEIXJAF-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide (PubChem CID 46450103) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
PubChem CID46450103
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H17N3O5/c1-3-11-6-4-5-7-12(11)17-14(20)10-18(2)16(21)13-8-9-15(24-13)19(22)23/h4-9H,3,10H2,1-2H3,(H,17,20)
InChIKeyCFEAQJHOEIXJAF-UHFFFAOYSA-N
XLogP2.46
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
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'}

Analyze N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide 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

N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 60556788
N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 34867078
N-[2-(methylaminomethyl)phenyl]-5-nitrofuran-2-carboxamide
CID 43600991
2-amino-N-[2-(2-ethylanilino)-2-oxoethyl]-5-fluoro-N-methyl-3-nitrobenzamide
CID 47067843
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N-ethyl-5-nitro-N-phenylfuran-2-carboxamide
CID 773502
N-[2-(2-ethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 17413852
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-ethylphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17460948
N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide (CID 46450103) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide?
The InChIKey is CFEAQJHOEIXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-3-11-6-4-5-7-12(11)17-14(20)10-18(2)16(21)13-8-9-15(24-13)19(22)23/h4-9H,3,10H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 46450103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).