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

C21H20N2O5 — CID 9150497

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C21H20N2O5/c1-14-3-8-17(18(13-14)23(25)26)19-9-10-20(28-19)21(24)22-12-11-15-4-6-16(27-2)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyBYQWUMCZCHNXFH-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.14
Rot. Bonds7

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

N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide (PubChem CID 9150497) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
PubChem CID9150497
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C21H20N2O5/c1-14-3-8-17(18(13-14)23(25)26)19-9-10-20(28-19)21(24)22-12-11-15-4-6-16(27-2)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyBYQWUMCZCHNXFH-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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

5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
N-cyclopentyl-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 7465174
5-(4-methoxy-2-nitrophenyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 7465117
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
CID 17274075
5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 1269671
N-(2,3-dimethylphenyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840667
prop-2-ynyl 5-(4-methyl-2-nitrophenyl)furan-2-carboxylate
CID 95911137
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-3,5-dinitrobenzamide
CID 4633764
5-(2-chloro-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1424128
4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 26644252
N-(5-bromo-3-methyl-2-pyridinyl)-5-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 43840692
methyl 2-[[5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 43840710

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide (CID 9150497) is N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The InChIKey is BYQWUMCZCHNXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-14-3-8-17(18(13-14)23(25)26)19-9-10-20(28-19)21(24)22-12-11-15-4-6-16(27-2)7-5-15/h3-10,13H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 9150497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).