2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide

C20H24N2O3 — CID 111536786

IUPAC2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H24N2O3/c23-19(13-20(24)9-2-1-3-10-20)22-17-7-4-8-18(12-17)25-15-16-6-5-11-21-14-16/h4-8,11-12,14,24H,1-3,9-10,13,15H2,(H,22,23)
InChIKeyPKEMURTWUHJQGY-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.68
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide

2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide (PubChem CID 111536786) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
PubChem CID111536786
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
SMILESO=C(CC1(O)CCCCC1)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H24N2O3/c23-19(13-20(24)9-2-1-3-10-20)22-17-7-4-8-18(12-17)25-15-16-6-5-11-21-14-16/h4-8,11-12,14,24H,1-3,9-10,13,15H2,(H,22,23)
InChIKeyPKEMURTWUHJQGY-UHFFFAOYSA-N
XLogP3.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178
2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510
4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119846179
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039
3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
CID 60520711
2-methyl-3-(methylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846173

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide (CID 111536786) is 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide is O=C(CC1(O)CCCCC1)Nc1cccc(OCc2cccnc2)c1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide?
The InChIKey is PKEMURTWUHJQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(13-20(24)9-2-1-3-10-20)22-17-7-4-8-18(12-17)25-15-16-6-5-11-21-14-16/h4-8,11-12,14,24H,1-3,9-10,13,15H2,(H,22,23).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 111536786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).