N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H33N3O3 — CID 14987758

IUPACN-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCCN(CCC)Cc1ccc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2)cc1
InChIInChI=1S/C25H33N3O3/c1-4-14-27(15-5-2)17-20-6-8-21(9-7-20)22-10-12-23(13-11-22)28-18-24(31-25(28)30)16-26-19(3)29/h6-13,24H,4-5,14-18H2,1-3H3,(H,26,29)
InChIKeyCEHALIDJUHSWEQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.44
Rot. Bonds10

About N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 14987758) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID14987758
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCCCN(CCC)Cc1ccc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2)cc1
InChIInChI=1S/C25H33N3O3/c1-4-14-27(15-5-2)17-20-6-8-21(9-7-20)22-10-12-23(13-11-22)28-18-24(31-25(28)30)16-26-19(3)29/h6-13,24H,4-5,14-18H2,1-3H3,(H,26,29)
InChIKeyCEHALIDJUHSWEQ-UHFFFAOYSA-N
XLogP4.44
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 14987758) is N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CCCN(CCC)Cc1ccc(-c2ccc(N3CC(CNC(C)=O)OC3=O)cc2)cc1.
What is the InChIKey of N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CEHALIDJUHSWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-14-27(15-5-2)17-20-6-8-21(9-7-20)22-10-12-23(13-11-22)28-18-24(31-25(28)30)16-26-19(3)29/h6-13,24H,4-5,14-18H2,1-3H3,(H,26,29).
What are the key properties of N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-[(dipropylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 14987758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).