methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate

C24H24N2O7 — CID 55781590

IUPACmethyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)cc1
InChIInChI=1S/C24H24N2O7/c1-30-19-5-3-4-6-20(19)32-15-18-11-12-21(33-18)24(29)26-17-9-7-16(8-10-17)13-22(27)25-14-23(28)31-2/h3-12H,13-15H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyWCCKIGPMUWXFQY-UHFFFAOYSA-N
MW452.46 g/mol
LogP2.95
Rot. Bonds10

About methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate (PubChem CID 55781590) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
PubChem CID55781590
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC Namemethyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)cc1
InChIInChI=1S/C24H24N2O7/c1-30-19-5-3-4-6-20(19)32-15-18-11-12-21(33-18)24(29)26-17-9-7-16(8-10-17)13-22(27)25-14-23(28)31-2/h3-12H,13-15H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyWCCKIGPMUWXFQY-UHFFFAOYSA-N
XLogP2.95
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929
N-[2-(ethylamino)-2-oxoethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86997976
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 49168966
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate
CID 55788987
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660443
5-[(2-methoxyphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19467514
methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
CID 55917140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate (CID 55781590) is methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate?
The InChIKey is WCCKIGPMUWXFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7/c1-30-19-5-3-4-6-20(19)32-15-18-11-12-21(33-18)24(29)26-17-9-7-16(8-10-17)13-22(27)25-14-23(28)31-2/h3-12H,13-15H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate has a molecular weight of 452.46 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55781590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).