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

C23H31N3O3 — CID 979822

IUPACN-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H31N3O3/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)
InChIKeyHYIWBZBJLBRLLO-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.60
Rot. Bonds10

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

N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide (PubChem CID 979822) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide
PubChem CID979822
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C23H31N3O3/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)
InChIKeyHYIWBZBJLBRLLO-UHFFFAOYSA-N
XLogP3.60
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
[4-[2-(cyclohexylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl-(pyridin-2-ylmethyl)azanium
CID 7304578
1-(3-ethoxy-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 6459415
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-phenylacetamide
CID 2959909
2-[4-(2-aminopropyl)-2-ethoxyphenoxy]-N-cyclopropylacetamide
CID 60907117
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
1-cyclohexyl-3-[(3,4-diethoxyphenyl)methyl]thiourea
CID 17267900
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278166
N-cyclohexyl-2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 107686419
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
2-[4-[(cyclopentylamino)methyl]-2-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 2986953

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide (CID 979822) is N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide is CCOc1cc(CNCc2ccccn2)ccc1OCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide?
The InChIKey is HYIWBZBJLBRLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/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).
What are the key properties of N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide?
N-cyclohexyl-2-[2-ethoxy-4-[(pyridin-2-ylmethylamino)methyl]phenoxy]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.60, 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 is sourced from PubChem (CID 979822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).