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

C22H30ClN3O3 — CID 2969655

IUPACN-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C22H29N3O3.ClH/c1-27-21-13-17(14-23-15-19-9-5-6-12-24-19)10-11-20(21)28-16-22(26)25-18-7-3-2-4-8-18;/h5-6,9-13,18,23H,2-4,7-8,14-16H2,1H3,(H,25,26);1H
InChIKeyZDIKHWCMGBTAGJ-UHFFFAOYSA-N
MW419.95 g/mol
LogP3.63
Rot. Bonds9

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

N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 2969655) has the molecular formula C22H30ClN3O3 and a molecular weight of 419.95 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
PubChem CID2969655
Molecular FormulaC22H30ClN3O3
Molecular Weight419.95 g/mol
Exact Mass419.20
IUPAC NameN-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
SMILESCOc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C22H29N3O3.ClH/c1-27-21-13-17(14-23-15-19-9-5-6-12-24-19)10-11-20(21)28-16-22(26)25-18-7-3-2-4-8-18;/h5-6,9-13,18,23H,2-4,7-8,14-16H2,1H3,(H,25,26);1H
InChIKeyZDIKHWCMGBTAGJ-UHFFFAOYSA-N
XLogP3.63
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 53.63
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-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride (CID 2969655) is N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is COc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1.Cl.
What is the InChIKey of N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is ZDIKHWCMGBTAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3.ClH/c1-27-21-13-17(14-23-15-19-9-5-6-12-24-19)10-11-20(21)28-16-22(26)25-18-7-3-2-4-8-18;/h5-6,9-13,18,23H,2-4,7-8,14-16H2,1H3,(H,25,26);1H.
What are the key properties of N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride?
N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 419.95 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-methoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 2969655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).