(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide

C16H29NO3 — CID 129374190

IUPAC(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide
SMILESC[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H]2CCO[C@@H]2C)C1
InChIInChI=1S/C16H29NO3/c1-11-7-15(3,4)9-16(8-11,10-18)17-14(19)13-5-6-20-12(13)2/h11-13,18H,5-10H2,1-4H3,(H,17,19)/t11-,12-,13-,16-/m1/s1
InChIKeyRCQHQCBPVRSSAG-BRXULGCHSA-N
MW283.41 g/mol
LogP2.10
Rot. Bonds3

About (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide

(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide (PubChem CID 129374190) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide
PubChem CID129374190
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide
SMILESC[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H]2CCO[C@@H]2C)C1
InChIInChI=1S/C16H29NO3/c1-11-7-15(3,4)9-16(8-11,10-18)17-14(19)13-5-6-20-12(13)2/h11-13,18H,5-10H2,1-4H3,(H,17,19)/t11-,12-,13-,16-/m1/s1
InChIKeyRCQHQCBPVRSSAG-BRXULGCHSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide (CID 129374190) is (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide is C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H]2CCO[C@@H]2C)C1.
What is the InChIKey of (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide?
The InChIKey is RCQHQCBPVRSSAG-BRXULGCHSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11-7-15(3,4)9-16(8-11,10-18)17-14(19)13-5-6-20-12(13)2/h11-13,18H,5-10H2,1-4H3,(H,17,19)/t11-,12-,13-,16-/m1/s1.
What are the key properties of (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide?
(2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1R,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 129374190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).