N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide

C29H33N5O4 — CID 18672667

IUPACN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(N(C)C)n4)cc3C)cc2)cc1OCCN(C)C
InChIInChI=1S/C29H33N5O4/c1-19-17-22(27-31-29(34(4)5)38-32-27)11-13-24(19)20-7-9-21(10-8-20)28(35)30-23-12-14-25(36-6)26(18-23)37-16-15-33(2)3/h7-14,17-18H,15-16H2,1-6H3,(H,30,35)
InChIKeyZFBAOFRXSGZFNT-UHFFFAOYSA-N
MW515.61 g/mol
LogP4.98
Rot. Bonds10

About N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide (PubChem CID 18672667) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide
PubChem CID18672667
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(N(C)C)n4)cc3C)cc2)cc1OCCN(C)C
InChIInChI=1S/C29H33N5O4/c1-19-17-22(27-31-29(34(4)5)38-32-27)11-13-24(19)20-7-9-21(10-8-20)28(35)30-23-12-14-25(36-6)26(18-23)37-16-15-33(2)3/h7-14,17-18H,15-16H2,1-6H3,(H,30,35)
InChIKeyZFBAOFRXSGZFNT-UHFFFAOYSA-N
XLogP4.98
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide (CID 18672667) is N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(N(C)C)n4)cc3C)cc2)cc1OCCN(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide?
The InChIKey is ZFBAOFRXSGZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-19-17-22(27-31-29(34(4)5)38-32-27)11-13-24(19)20-7-9-21(10-8-20)28(35)30-23-12-14-25(36-6)26(18-23)37-16-15-33(2)3/h7-14,17-18H,15-16H2,1-6H3,(H,30,35).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide?
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide has a molecular weight of 515.61 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[5-(dimethylamino)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]benzamide is sourced from PubChem (CID 18672667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).