N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C30H34N4O4 — CID 18672677

IUPACN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCCN(CC)CCOc1cc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)ccc1OC
InChIInChI=1S/C30H34N4O4/c1-6-34(7-2)16-17-37-28-19-25(13-15-27(28)36-5)32-30(35)23-10-8-22(9-11-23)26-14-12-24(18-20(26)3)29-31-21(4)38-33-29/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,32,35)
InChIKeyWKWQDYFKCLXZRZ-UHFFFAOYSA-N
MW514.63 g/mol
LogP6.00
Rot. Bonds11

About N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 18672677) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID18672677
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCCN(CC)CCOc1cc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)ccc1OC
InChIInChI=1S/C30H34N4O4/c1-6-34(7-2)16-17-37-28-19-25(13-15-27(28)36-5)32-30(35)23-10-8-22(9-11-23)26-14-12-24(18-20(26)3)29-31-21(4)38-33-29/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,32,35)
InChIKeyWKWQDYFKCLXZRZ-UHFFFAOYSA-N
XLogP6.00
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 18672677) is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is CCN(CC)CCOc1cc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)ccc1OC.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is WKWQDYFKCLXZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-6-34(7-2)16-17-37-28-19-25(13-15-27(28)36-5)32-30(35)23-10-8-22(9-11-23)26-14-12-24(18-20(26)3)29-31-21(4)38-33-29/h8-15,18-19H,6-7,16-17H2,1-5H3,(H,32,35).
What are the key properties of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 514.63 g/mol, XLogP of 6.00, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 18672677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).