N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide

C20H28N4O2 — CID 121416940

IUPACN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide
SMILESCCOc1ccccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1
InChIInChI=1S/C20H28N4O2/c1-6-24(19(25)17-10-8-9-11-18(17)26-7-2)13-12-23(5)20-21-15(3)14-16(4)22-20/h8-11,14H,6-7,12-13H2,1-5H3
InChIKeyJCBRAODYZJUEIE-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.09
Rot. Bonds8

About N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide

N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide (PubChem CID 121416940) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide
PubChem CID121416940
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide
SMILESCCOc1ccccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1
InChIInChI=1S/C20H28N4O2/c1-6-24(19(25)17-10-8-9-11-18(17)26-7-2)13-12-23(5)20-21-15(3)14-16(4)22-20/h8-11,14H,6-7,12-13H2,1-5H3
InChIKeyJCBRAODYZJUEIE-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide?
The IUPAC name of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide (CID 121416940) is N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide.
What is the SMILES notation for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide?
The canonical SMILES for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide is CCOc1ccccc1C(=O)N(CC)CCN(C)c1nc(C)cc(C)n1.
What is the InChIKey of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide?
The InChIKey is JCBRAODYZJUEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-6-24(19(25)17-10-8-9-11-18(17)26-7-2)13-12-23(5)20-21-15(3)14-16(4)22-20/h8-11,14H,6-7,12-13H2,1-5H3.
What are the key properties of N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide?
N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide has a molecular weight of 356.47 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]ethyl]-2-ethoxy-N-ethylbenzamide is sourced from PubChem (CID 121416940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).