N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C30H32N4O4 — CID 18672660

IUPACN-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCC1CCCN1C
InChIInChI=1S/C30H32N4O4/c1-19-16-23(29-31-20(2)38-33-29)11-13-26(19)21-7-9-22(10-8-21)30(35)32-24-12-14-27(36-4)28(17-24)37-18-25-6-5-15-34(25)3/h7-14,16-17,25H,5-6,15,18H2,1-4H3,(H,32,35)
InChIKeyRVUSBLNDQLWYCN-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.75
Rot. Bonds8

About N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 18672660) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID18672660
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC NameN-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCC1CCCN1C
InChIInChI=1S/C30H32N4O4/c1-19-16-23(29-31-20(2)38-33-29)11-13-26(19)21-7-9-22(10-8-21)30(35)32-24-12-14-27(36-4)28(17-24)37-18-25-6-5-15-34(25)3/h7-14,16-17,25H,5-6,15,18H2,1-4H3,(H,32,35)
InChIKeyRVUSBLNDQLWYCN-UHFFFAOYSA-N
XLogP5.75
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 18672660) is N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1OCC1CCCN1C.
What is the InChIKey of N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is RVUSBLNDQLWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-19-16-23(29-31-20(2)38-33-29)11-13-26(19)21-7-9-22(10-8-21)30(35)32-24-12-14-27(36-4)28(17-24)37-18-25-6-5-15-34(25)3/h7-14,16-17,25H,5-6,15,18H2,1-4H3,(H,32,35).
What are the key properties of N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 512.61 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(1-methylpyrrolidin-2-yl)methoxy]phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 18672660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).