2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide

C15H22N2O3 — CID 111538742

IUPAC2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide
SMILESO=C(CC1(O)CCCCC1)NCCOc1cccnc1
InChIInChI=1S/C15H22N2O3/c18-14(11-15(19)6-2-1-3-7-15)17-9-10-20-13-5-4-8-16-12-13/h4-5,8,12,19H,1-3,6-7,9-11H2,(H,17,18)
InChIKeyXJMHJPXBTYJJPX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.66
Rot. Bonds6

About 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide

2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide (PubChem CID 111538742) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide
PubChem CID111538742
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide
SMILESO=C(CC1(O)CCCCC1)NCCOc1cccnc1
InChIInChI=1S/C15H22N2O3/c18-14(11-15(19)6-2-1-3-7-15)17-9-10-20-13-5-4-8-16-12-13/h4-5,8,12,19H,1-3,6-7,9-11H2,(H,17,18)
InChIKeyXJMHJPXBTYJJPX-UHFFFAOYSA-N
XLogP1.66
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(2-pyridin-3-yloxyethyl)acetamide
CID 111538743
2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 111536786
2-[1-(aminomethyl)cyclohexyl]-N-(2-phenoxyethyl)acetamide
CID 104678055
(2R)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429271
(2S)-2-methyl-N-(3-pyridin-3-yloxypropyl)oxolane-2-carboxamide
CID 126429268
1-morpholin-4-yl-N-(3-pyridin-3-yloxypropyl)cyclohexane-1-carboxamide
CID 118774806
3-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837112
4-(pyridin-3-yloxymethyl)piperidin-4-ol
CID 112703881
2-[(3S)-oxan-3-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 126425334
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
3-(oxazinan-2-yl)-N-(3-pyridin-3-yloxypropyl)propanamide
CID 46984120
N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 96568791

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide (CID 111538742) is 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide is O=C(CC1(O)CCCCC1)NCCOc1cccnc1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide?
The InChIKey is XJMHJPXBTYJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(11-15(19)6-2-1-3-7-15)17-9-10-20-13-5-4-8-16-12-13/h4-5,8,12,19H,1-3,6-7,9-11H2,(H,17,18).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide?
2-(1-hydroxycyclohexyl)-N-(2-pyridin-3-yloxyethyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.66, 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-(2-pyridin-3-yloxyethyl)acetamide is sourced from PubChem (CID 111538742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).