methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate

C21H19NO5 — CID 59654703

IUPACmethyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccc(-c3ccc(OC)cc3)o2)c1
InChIInChI=1S/C21H19NO5/c1-25-17-8-6-15(7-9-17)18-10-11-19(27-18)21(24)22-16-5-3-4-14(12-16)13-20(23)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyRNZNGCTXZCDHDL-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.92
Rot. Bonds6

About methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate

methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate (PubChem CID 59654703) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
PubChem CID59654703
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Namemethyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccc(-c3ccc(OC)cc3)o2)c1
InChIInChI=1S/C21H19NO5/c1-25-17-8-6-15(7-9-17)18-10-11-19(27-18)21(24)22-16-5-3-4-14(12-16)13-20(23)26-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyRNZNGCTXZCDHDL-UHFFFAOYSA-N
XLogP3.92
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654833
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
CID 59654716
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
methyl 2-[[3-[(5-methylfuran-2-carbonyl)amino]phenyl]methylsulfanyl]acetate
CID 167770282
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 177358680
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate (CID 59654703) is methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate is COC(=O)Cc1cccc(NC(=O)c2ccc(-c3ccc(OC)cc3)o2)c1.
What is the InChIKey of methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate?
The InChIKey is RNZNGCTXZCDHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-25-17-8-6-15(7-9-17)18-10-11-19(27-18)21(24)22-16-5-3-4-14(12-16)13-20(23)26-2/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate?
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate has a molecular weight of 365.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate is sourced from PubChem (CID 59654703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).