N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide

C23H22N2O5 — CID 131914476

IUPACN-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCOc1cccc(OC2CN(C(=O)c3ccccc3NC(=O)c3ccoc3C)C2)c1
InChIInChI=1S/C23H22N2O5/c1-15-19(10-11-29-15)22(26)24-21-9-4-3-8-20(21)23(27)25-13-18(14-25)30-17-7-5-6-16(12-17)28-2/h3-12,18H,13-14H2,1-2H3,(H,24,26)
InChIKeyIKBSLWWBYDGKET-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.75
Rot. Bonds6

About N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide

N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 131914476) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID131914476
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCOc1cccc(OC2CN(C(=O)c3ccccc3NC(=O)c3ccoc3C)C2)c1
InChIInChI=1S/C23H22N2O5/c1-15-19(10-11-29-15)22(26)24-21-9-4-3-8-20(21)23(27)25-13-18(14-25)30-17-7-5-6-16(12-17)28-2/h3-12,18H,13-14H2,1-2H3,(H,24,26)
InChIKeyIKBSLWWBYDGKET-UHFFFAOYSA-N
XLogP3.75
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide (CID 131914476) is N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide is COc1cccc(OC2CN(C(=O)c3ccccc3NC(=O)c3ccoc3C)C2)c1.
What is the InChIKey of N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is IKBSLWWBYDGKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-15-19(10-11-29-15)22(26)24-21-9-4-3-8-20(21)23(27)25-13-18(14-25)30-17-7-5-6-16(12-17)28-2/h3-12,18H,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide?
N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 131914476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).