N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C23H24N2O6 — CID 55616521

IUPACN-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)COc2cccc(NC(=O)c3ccco3)c2)c(OC)c1
InChIInChI=1S/C23H24N2O6/c1-25(14-16-9-10-18(28-2)13-21(16)29-3)22(26)15-31-19-7-4-6-17(12-19)24-23(27)20-8-5-11-30-20/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyMBSIWDFFGKAAQI-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.59
Rot. Bonds9

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

N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55616521) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID55616521
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC NameN-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)COc2cccc(NC(=O)c3ccco3)c2)c(OC)c1
InChIInChI=1S/C23H24N2O6/c1-25(14-16-9-10-18(28-2)13-21(16)29-3)22(26)15-31-19-7-4-6-17(12-19)24-23(27)20-8-5-11-30-20/h4-13H,14-15H2,1-3H3,(H,24,27)
InChIKeyMBSIWDFFGKAAQI-UHFFFAOYSA-N
XLogP3.59
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474685
N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616404
N-[3-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119655116
2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7930574
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55953436
N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839
2-(3,4-dichlorophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 36999617
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308
3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid
CID 119206961
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(3-methoxyphenyl)butanediamide
CID 3173116
N-[3-[bis(2,6-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 17274000

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55616521) is N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is COc1ccc(CN(C)C(=O)COc2cccc(NC(=O)c3ccco3)c2)c(OC)c1.
What is the InChIKey of N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is MBSIWDFFGKAAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-25(14-16-9-10-18(28-2)13-21(16)29-3)22(26)15-31-19-7-4-6-17(12-19)24-23(27)20-8-5-11-30-20/h4-13H,14-15H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55616521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).