N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide

C22H30N2O2 — CID 121413972

IUPACN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide
SMILESCCCc1ccccc1C(=O)N(CC)CCc1cccc(C(C)(C)O)n1
InChIInChI=1S/C22H30N2O2/c1-5-10-17-11-7-8-13-19(17)21(25)24(6-2)16-15-18-12-9-14-20(23-18)22(3,4)26/h7-9,11-14,26H,5-6,10,15-16H2,1-4H3
InChIKeyWZDDDEKXWGVLAE-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.97
Rot. Bonds8

About N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide

N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide (PubChem CID 121413972) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide
PubChem CID121413972
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide
SMILESCCCc1ccccc1C(=O)N(CC)CCc1cccc(C(C)(C)O)n1
InChIInChI=1S/C22H30N2O2/c1-5-10-17-11-7-8-13-19(17)21(25)24(6-2)16-15-18-12-9-14-20(23-18)22(3,4)26/h7-9,11-14,26H,5-6,10,15-16H2,1-4H3
InChIKeyWZDDDEKXWGVLAE-UHFFFAOYSA-N
XLogP3.97
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide?
The IUPAC name of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide (CID 121413972) is N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide is CCCc1ccccc1C(=O)N(CC)CCc1cccc(C(C)(C)O)n1.
What is the InChIKey of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide?
The InChIKey is WZDDDEKXWGVLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-5-10-17-11-7-8-13-19(17)21(25)24(6-2)16-15-18-12-9-14-20(23-18)22(3,4)26/h7-9,11-14,26H,5-6,10,15-16H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide?
N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide has a molecular weight of 354.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-propylbenzamide is sourced from PubChem (CID 121413972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).