N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide

C24H28N2O4 — CID 42695445

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
SMILESCOc1ccc(CCN(Cc2ccc(N(C)C)cc2)C(=O)c2ccco2)cc1OC
InChIInChI=1S/C24H28N2O4/c1-25(2)20-10-7-19(8-11-20)17-26(24(27)22-6-5-15-30-22)14-13-18-9-12-21(28-3)23(16-18)29-4/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyMETKKRAYQKWSTR-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.25
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide (PubChem CID 42695445) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
PubChem CID42695445
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
SMILESCOc1ccc(CCN(Cc2ccc(N(C)C)cc2)C(=O)c2ccco2)cc1OC
InChIInChI=1S/C24H28N2O4/c1-25(2)20-10-7-19(8-11-20)17-26(24(27)22-6-5-15-30-22)14-13-18-9-12-21(28-3)23(16-18)29-4/h5-12,15-16H,13-14,17H2,1-4H3
InChIKeyMETKKRAYQKWSTR-UHFFFAOYSA-N
XLogP4.25
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 42797806
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 5026492
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]-3,5,5-trimethylhexanamide
CID 42695446
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 42809074
N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 5008324
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 5176279
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42701738
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
2-methoxyethyl N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-carbonyl)-N-methylcarbamimidate
CID 7301876
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 3675842
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 83283246
N-[(2-chloro-6-ethylquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1439956

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide (CID 42695445) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide is COc1ccc(CCN(Cc2ccc(N(C)C)cc2)C(=O)c2ccco2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide?
The InChIKey is METKKRAYQKWSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-25(2)20-10-7-19(8-11-20)17-26(24(27)22-6-5-15-30-22)14-13-18-9-12-21(28-3)23(16-18)29-4/h5-12,15-16H,13-14,17H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 42695445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).