methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate

C23H23NO7 — CID 55917140

IUPACmethyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)c(C)c1
InChIInChI=1S/C23H23NO7/c1-15-12-16(29-14-22(25)28-3)8-10-18(15)24-23(26)21-11-9-17(31-21)13-30-20-7-5-4-6-19(20)27-2/h4-12H,13-14H2,1-3H3,(H,24,26)
InChIKeyKWQPETLQZCTDMR-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.98
Rot. Bonds9

About methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate

methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate (PubChem CID 55917140) has the molecular formula C23H23NO7 and a molecular weight of 425.44 g/mol. Its IUPAC name is methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
PubChem CID55917140
Molecular FormulaC23H23NO7
Molecular Weight425.44 g/mol
Exact Mass425.15
IUPAC Namemethyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)c(C)c1
InChIInChI=1S/C23H23NO7/c1-15-12-16(29-14-22(25)28-3)8-10-18(15)24-23(26)21-11-9-17(31-21)13-30-20-7-5-4-6-19(20)27-2/h4-12H,13-14H2,1-3H3,(H,24,26)
InChIKeyKWQPETLQZCTDMR-UHFFFAOYSA-N
XLogP3.98
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
CID 55917271
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977
5-[(2-bromophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19450342
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
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
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19415790
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781590
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate (CID 55917140) is methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate is COC(=O)COc1ccc(NC(=O)c2ccc(COc3ccccc3OC)o2)c(C)c1.
What is the InChIKey of methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate?
The InChIKey is KWQPETLQZCTDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7/c1-15-12-16(29-14-22(25)28-3)8-10-18(15)24-23(26)21-11-9-17(31-21)13-30-20-7-5-4-6-19(20)27-2/h4-12H,13-14H2,1-3H3,(H,24,26).
What are the key properties of methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate?
methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate has a molecular weight of 425.44 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate is sourced from PubChem (CID 55917140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).