2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

C14H23NO3 — CID 136581626

IUPAC2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(C[C@@H]1CCCC[C@H]1O)NC1CC2CCC1O2
InChIInChI=1S/C14H23NO3/c16-12-4-2-1-3-9(12)7-14(17)15-11-8-10-5-6-13(11)18-10/h9-13,16H,1-8H2,(H,15,17)/t9-,10?,11?,12+,13?/m0/s1
InChIKeyZTULPGFEVOUYGI-ZBHCNIRXSA-N
MW253.34 g/mol
LogP1.36
Rot. Bonds3

About 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 136581626) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID136581626
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESO=C(C[C@@H]1CCCC[C@H]1O)NC1CC2CCC1O2
InChIInChI=1S/C14H23NO3/c16-12-4-2-1-3-9(12)7-14(17)15-11-8-10-5-6-13(11)18-10/h9-13,16H,1-8H2,(H,15,17)/t9-,10?,11?,12+,13?/m0/s1
InChIKeyZTULPGFEVOUYGI-ZBHCNIRXSA-N
XLogP1.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
CID 80602124
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 80720117
2-[2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-oxoethoxy]acetic acid
CID 80717636
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
CID 120562894
trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol
CID 102733763
2-(2-hydroxycycloheptyl)acetohydrazide
CID 130147718
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
6-amino-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
CID 80714519

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 136581626) is 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is O=C(C[C@@H]1CCCC[C@H]1O)NC1CC2CCC1O2.
What is the InChIKey of 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is ZTULPGFEVOUYGI-ZBHCNIRXSA-N. The full InChI is InChI=1S/C14H23NO3/c16-12-4-2-1-3-9(12)7-14(17)15-11-8-10-5-6-13(11)18-10/h9-13,16H,1-8H2,(H,15,17)/t9-,10?,11?,12+,13?/m0/s1.
What are the key properties of 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 253.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-hydroxycyclohexyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 136581626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).