cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide

C13H23NO3 — CID 100660597

IUPACcis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide
SMILESC[C@@H]1CCC[C@H](C(=O)NC[C@]2(O)CCOC2)C1
InChIInChI=1S/C13H23NO3/c1-10-3-2-4-11(7-10)12(15)14-8-13(16)5-6-17-9-13/h10-11,16H,2-9H2,1H3,(H,14,15)/t10-,11+,13-/m1/s1
InChIKeyXWQNRNVKIMNKSN-NTZNESFSSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds3

About cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide

cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 100660597) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide
PubChem CID100660597
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namecis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide
SMILESC[C@@H]1CCC[C@H](C(=O)NC[C@]2(O)CCOC2)C1
InChIInChI=1S/C13H23NO3/c1-10-3-2-4-11(7-10)12(15)14-8-13(16)5-6-17-9-13/h10-11,16H,2-9H2,1H3,(H,14,15)/t10-,11+,13-/m1/s1
InChIKeyXWQNRNVKIMNKSN-NTZNESFSSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]heptanamide
CID 121557397
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103712393
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103848977
N-[(3-hydroxyoxolan-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103849426
4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 103860805
N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834422
4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 107301601
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107301818
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107302022
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107302151
3-cyclohexyl-N-[(2S,3S)-2-ethyl-4-hydroxyoxolan-3-yl]propanamide
CID 91485178
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(oxolan-2-yl)propanamide
CID 65123794

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide (CID 100660597) is cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide is C[C@@H]1CCC[C@H](C(=O)NC[C@]2(O)CCOC2)C1.
What is the InChIKey of cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is XWQNRNVKIMNKSN-NTZNESFSSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-3-2-4-11(7-10)12(15)14-8-13(16)5-6-17-9-13/h10-11,16H,2-9H2,1H3,(H,14,15)/t10-,11+,13-/m1/s1.
What are the key properties of cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide?
cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100660597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).