N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

C23H26N2O5 — CID 25162176

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OC
InChIInChI=1S/C23H26N2O5/c1-15-20(16(2)30-25-15)14-29-19-8-6-18(7-9-19)23(26)24-12-11-17-5-10-21(27-3)22(13-17)28-4/h5-10,13H,11-12,14H2,1-4H3,(H,24,26)
InChIKeyYUIPOYAROAETRZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.86
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (PubChem CID 25162176) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
PubChem CID25162176
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OC
InChIInChI=1S/C23H26N2O5/c1-15-20(16(2)30-25-15)14-29-19-8-6-18(7-9-19)23(26)24-12-11-17-5-10-21(27-3)22(13-17)28-4/h5-10,13H,11-12,14H2,1-4H3,(H,24,26)
InChIKeyYUIPOYAROAETRZ-UHFFFAOYSA-N
XLogP3.86
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide (CID 25162176) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is COc1ccc(CCNC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
The InChIKey is YUIPOYAROAETRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-15-20(16(2)30-25-15)14-29-19-8-6-18(7-9-19)23(26)24-12-11-17-5-10-21(27-3)22(13-17)28-4/h5-10,13H,11-12,14H2,1-4H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide has a molecular weight of 410.47 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 25162176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).