N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide

C25H30N4O5 — CID 91251800

IUPACN-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
SMILESCCCC(N)c1ccc(NC(=O)CC2OCCN(c3cccc(N4CCOC4=O)c3)C2=O)cc1
InChIInChI=1S/C25H30N4O5/c1-2-4-21(26)17-7-9-18(10-8-17)27-23(30)16-22-24(31)28(11-13-33-22)19-5-3-6-20(15-19)29-12-14-34-25(29)32/h3,5-10,15,21-22H,2,4,11-14,16,26H2,1H3,(H,27,30)
InChIKeyZYFGOLVJQUVMFN-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.20
Rot. Bonds8

About N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide

N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide (PubChem CID 91251800) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
PubChem CID91251800
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC NameN-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide
SMILESCCCC(N)c1ccc(NC(=O)CC2OCCN(c3cccc(N4CCOC4=O)c3)C2=O)cc1
InChIInChI=1S/C25H30N4O5/c1-2-4-21(26)17-7-9-18(10-8-17)27-23(30)16-22-24(31)28(11-13-33-22)19-5-3-6-20(15-19)29-12-14-34-25(29)32/h3,5-10,15,21-22H,2,4,11-14,16,26H2,1H3,(H,27,30)
InChIKeyZYFGOLVJQUVMFN-UHFFFAOYSA-N
XLogP3.20
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide?
The IUPAC name of N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide (CID 91251800) is N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide is CCCC(N)c1ccc(NC(=O)CC2OCCN(c3cccc(N4CCOC4=O)c3)C2=O)cc1.
What is the InChIKey of N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is ZYFGOLVJQUVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-2-4-21(26)17-7-9-18(10-8-17)27-23(30)16-22-24(31)28(11-13-33-22)19-5-3-6-20(15-19)29-12-14-34-25(29)32/h3,5-10,15,21-22H,2,4,11-14,16,26H2,1H3,(H,27,30).
What are the key properties of N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide?
N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 466.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminobutyl)phenyl]-2-[3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 91251800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).