N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide

C20H17NO5 — CID 1088589

IUPACN-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCOc1cccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C20H17NO5/c1-24-16-7-2-5-14(11-16)18(22)13-26-17-8-3-6-15(12-17)21-20(23)19-9-4-10-25-19/h2-12H,13H2,1H3,(H,21,23)
InChIKeyNIDZQVFFSZEDJY-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.80
Rot. Bonds7

About N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 1088589) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID1088589
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC NameN-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCOc1cccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C20H17NO5/c1-24-16-7-2-5-14(11-16)18(22)13-26-17-8-3-6-15(12-17)21-20(23)19-9-4-10-25-19/h2-12H,13H2,1H3,(H,21,23)
InChIKeyNIDZQVFFSZEDJY-UHFFFAOYSA-N
XLogP3.80
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 16038374
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CID 785196
CID 785196
CID 132275014
CID 132275014
CID 1868107
CID 1868107
CID 675397
CID 675397
CID 825801
CID 825801
CID 310138
CID 310138
CID 669405
CID 669405
CID 2246088
CID 2246088
CID 656254
CID 656254
CID 1331247
CID 1331247
CID 4365273
CID 4365273

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 1088589) is N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide is COc1cccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is NIDZQVFFSZEDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-24-16-7-2-5-14(11-16)18(22)13-26-17-8-3-6-15(12-17)21-20(23)19-9-4-10-25-19/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1088589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).