N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

C23H32ClN3O3 — CID 2981848

IUPACN-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCOc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C23H31N3O3.ClH/c1-2-28-22-14-18(15-24-16-20-10-6-7-13-25-20)11-12-21(22)29-17-23(27)26-19-8-4-3-5-9-19;/h6-7,10-14,19,24H,2-5,8-9,15-17H2,1H3,(H,26,27);1H
InChIKeyNZQGWRBBNNZNQF-UHFFFAOYSA-N
MW433.98 g/mol
LogP4.02
Rot. Bonds10

About N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride

N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 2981848) has the molecular formula C23H32ClN3O3 and a molecular weight of 433.98 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID2981848
Molecular FormulaC23H32ClN3O3
Molecular Weight433.98 g/mol
Exact Mass433.21
IUPAC NameN-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCCOc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C23H31N3O3.ClH/c1-2-28-22-14-18(15-24-16-20-10-6-7-13-25-20)11-12-21(22)29-17-23(27)26-19-8-4-3-5-9-19;/h6-7,10-14,19,24H,2-5,8-9,15-17H2,1H3,(H,26,27);1H
InChIKeyNZQGWRBBNNZNQF-UHFFFAOYSA-N
XLogP4.02
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 2981848) is N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is CCOc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1.Cl.
What is the InChIKey of N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is NZQGWRBBNNZNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3.ClH/c1-2-28-22-14-18(15-24-16-20-10-6-7-13-25-20)11-12-21(22)29-17-23(27)26-19-8-4-3-5-9-19;/h6-7,10-14,19,24H,2-5,8-9,15-17H2,1H3,(H,26,27);1H.
What are the key properties of N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2981848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).