N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

C24H28N4O3 — CID 60607041

IUPACN-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCCN(CC)CCn1ccc2cc(NC(=O)c3cccc(N4CCOC4=O)c3)ccc21
InChIInChI=1S/C24H28N4O3/c1-3-26(4-2)12-13-27-11-10-18-16-20(8-9-22(18)27)25-23(29)19-6-5-7-21(17-19)28-14-15-31-24(28)30/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,29)
InChIKeyBXXXAJIXXVUCLY-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.19
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide

N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (PubChem CID 60607041) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
PubChem CID60607041
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
SMILESCCN(CC)CCn1ccc2cc(NC(=O)c3cccc(N4CCOC4=O)c3)ccc21
InChIInChI=1S/C24H28N4O3/c1-3-26(4-2)12-13-27-11-10-18-16-20(8-9-22(18)27)25-23(29)19-6-5-7-21(17-19)28-14-15-31-24(28)30/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,29)
InChIKeyBXXXAJIXXVUCLY-UHFFFAOYSA-N
XLogP4.19
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide (CID 60607041) is N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is CCN(CC)CCn1ccc2cc(NC(=O)c3cccc(N4CCOC4=O)c3)ccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
The InChIKey is BXXXAJIXXVUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-26(4-2)12-13-27-11-10-18-16-20(8-9-22(18)27)25-23(29)19-6-5-7-21(17-19)28-14-15-31-24(28)30/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,25,29).
What are the key properties of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide?
N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide is sourced from PubChem (CID 60607041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).