N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide

C15H27NO4 — CID 59076568

IUPACN-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](CC(O)CO)CC(C)=C[C@H]1OC(C)C
InChIInChI=1S/C15H27NO4/c1-9(2)20-14-6-10(3)5-12(7-13(19)8-17)15(14)16-11(4)18/h6,9,12-15,17,19H,5,7-8H2,1-4H3,(H,16,18)/t12-,13?,14-,15-/m1/s1
InChIKeyLYJACEJVRBFRQI-RNLVXLIHSA-N
MW285.38 g/mol
LogP0.99
Rot. Bonds6

About N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076568) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59076568
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC NameN-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](CC(O)CO)CC(C)=C[C@H]1OC(C)C
InChIInChI=1S/C15H27NO4/c1-9(2)20-14-6-10(3)5-12(7-13(19)8-17)15(14)16-11(4)18/h6,9,12-15,17,19H,5,7-8H2,1-4H3,(H,16,18)/t12-,13?,14-,15-/m1/s1
InChIKeyLYJACEJVRBFRQI-RNLVXLIHSA-N
XLogP0.99
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (CID 59076568) is N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is CC(=O)N[C@@H]1[C@@H](CC(O)CO)CC(C)=C[C@H]1OC(C)C.
What is the InChIKey of N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is LYJACEJVRBFRQI-RNLVXLIHSA-N. The full InChI is InChI=1S/C15H27NO4/c1-9(2)20-14-6-10(3)5-12(7-13(19)8-17)15(14)16-11(4)18/h6,9,12-15,17,19H,5,7-8H2,1-4H3,(H,16,18)/t12-,13?,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 285.38 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R)-6-(2,3-dihydroxypropyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).