5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide

C21H20N2O5 — CID 19461245

IUPAC5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NC(C)c3ccccc3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H20N2O5/c1-14-8-10-19(18(12-14)23(25)26)27-13-17-9-11-20(28-17)21(24)22-15(2)16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,22,24)
InChIKeyTUKLDAWXWGGKAJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.57
Rot. Bonds7

About 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 19461245) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID19461245
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NC(C)c3ccccc3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H20N2O5/c1-14-8-10-19(18(12-14)23(25)26)27-13-17-9-11-20(28-17)21(24)22-15(2)16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,22,24)
InChIKeyTUKLDAWXWGGKAJ-UHFFFAOYSA-N
XLogP4.57
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.57
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'}

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462856
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
ethyl (2R)-2-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate
CID 19461268
5-[(2-nitrophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 19446371
N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461349
5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 580014
N-(furan-2-ylmethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461282
N-[(4-fluorophenyl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461206
N-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393403
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462971
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292533

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 19461245) is 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NC(C)c3ccccc3)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is TUKLDAWXWGGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-14-8-10-19(18(12-14)23(25)26)27-13-17-9-11-20(28-17)21(24)22-15(2)16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,22,24).
What are the key properties of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 19461245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).