N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide

C20H26N8O2 — CID 121416857

IUPACN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C20H26N8O2/c1-5-27(13-12-26(4)19-21-11-10-17(24-19)20(2,3)30)18(29)15-8-6-7-9-16(15)28-23-14-22-25-28/h6-11,14,30H,5,12-13H2,1-4H3
InChIKeyTXENDFXVXHYNDY-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.28
Rot. Bonds8

About N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide

N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide (PubChem CID 121416857) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide
PubChem CID121416857
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide
SMILESCCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1ncnn1
InChIInChI=1S/C20H26N8O2/c1-5-27(13-12-26(4)19-21-11-10-17(24-19)20(2,3)30)18(29)15-8-6-7-9-16(15)28-23-14-22-25-28/h6-11,14,30H,5,12-13H2,1-4H3
InChIKeyTXENDFXVXHYNDY-UHFFFAOYSA-N
XLogP1.28
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide (CID 121416857) is N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide is CCN(CCN(C)c1nccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1ncnn1.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide?
The InChIKey is TXENDFXVXHYNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O2/c1-5-27(13-12-26(4)19-21-11-10-17(24-19)20(2,3)30)18(29)15-8-6-7-9-16(15)28-23-14-22-25-28/h6-11,14,30H,5,12-13H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide?
N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide has a molecular weight of 410.48 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[4-(2-hydroxypropan-2-yl)pyrimidin-2-yl]-methylamino]ethyl]-2-(tetrazol-2-yl)benzamide is sourced from PubChem (CID 121416857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).