N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

C24H27NO6 — CID 21047405

IUPACN-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)N(C)CC(O)c3ccccc3)o2)c(OC)c1
InChIInChI=1S/C24H27NO6/c1-25(15-20(26)16-8-6-5-7-9-16)24(27)21-11-10-17(31-21)12-19-22(29-3)13-18(28-2)14-23(19)30-4/h5-11,13-14,20,26H,12,15H2,1-4H3
InChIKeyOQNCMZNDTGZQRU-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.70
Rot. Bonds9

About N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047405) has the molecular formula C24H27NO6 and a molecular weight of 425.48 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21047405
Molecular FormulaC24H27NO6
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC NameN-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)N(C)CC(O)c3ccccc3)o2)c(OC)c1
InChIInChI=1S/C24H27NO6/c1-25(15-20(26)16-8-6-5-7-9-16)24(27)21-11-10-17(31-21)12-19-22(29-3)13-18(28-2)14-23(19)30-4/h5-11,13-14,20,26H,12,15H2,1-4H3
InChIKeyOQNCMZNDTGZQRU-UHFFFAOYSA-N
XLogP3.70
TPSA81.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048254
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047850
N-[2-methoxy-5-(phenylcarbamoyl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047451
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047778
N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048103
5-[methyl-[(2S)-2-phenylpropyl]carbamoyl]furan-2-carboxylic acid
CID 99851700
N-(4-methyl-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048045
methyl 3-methyl-4-[[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046621
N-(5-chloro-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048114

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (CID 21047405) is N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is COc1cc(OC)c(Cc2ccc(C(=O)N(C)CC(O)c3ccccc3)o2)c(OC)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is OQNCMZNDTGZQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO6/c1-25(15-20(26)16-8-6-5-7-9-16)24(27)21-11-10-17(31-21)12-19-22(29-3)13-18(28-2)14-23(19)30-4/h5-11,13-14,20,26H,12,15H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-N-methyl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).