N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide

C21H20N2O5 — CID 18119275

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C21H20N2O5/c1-15-3-9-18(10-4-15)27-14-13-22(2)21(24)20-12-11-19(28-20)16-5-7-17(8-6-16)23(25)26/h3-12H,13-14H2,1-2H3
InChIKeyWXEQYTZCTZDILB-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.31
Rot. Bonds7

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 18119275) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID18119275
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1
InChIInChI=1S/C21H20N2O5/c1-15-3-9-18(10-4-15)27-14-13-22(2)21(24)20-12-11-19(28-20)16-5-7-17(8-6-16)23(25)26/h3-12H,13-14H2,1-2H3
InChIKeyWXEQYTZCTZDILB-UHFFFAOYSA-N
XLogP4.31
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.31
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

N-[2-(4-bromophenoxy)ethyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 112793958
methyl 3-[methyl-[2-(4-methylphenoxy)ethyl]carbamoyl]-5-nitrobenzoate
CID 27447823
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(4-nitrophenyl)acetamide
CID 46637977
5-(4-nitrophenyl)furan-2-carboxylate
CID 4616197
1-methyl-4-[3-(4-nitrophenyl)propoxy]benzene
CID 154265214
4,5-dimethoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-nitrobenzamide
CID 31641398
N-methyl-2-(4-methylphenoxy)-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 34721938
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-5-(4-nitrophenyl)furan-2-carboxamide
CID 9440883
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]-1,2-oxazole-5-carboxamide
CID 134049963
5-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 31285113
[2-oxo-2-(2-phenoxyethylamino)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 8569281

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide (CID 18119275) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide is Cc1ccc(OCCN(C)C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is WXEQYTZCTZDILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-15-3-9-18(10-4-15)27-14-13-22(2)21(24)20-12-11-19(28-20)16-5-7-17(8-6-16)23(25)26/h3-12H,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 18119275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).