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

C14H23NO3 — CID 59076542

IUPACN-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESC=C[C@@]1(O)CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C14H23NO3/c1-6-14(17)8-10(4)7-12(18-9(2)3)13(14)15-11(5)16/h6-7,9,12-13,17H,1,8H2,2-5H3,(H,15,16)/t12-,13+,14-/m1/s1
InChIKeyRAEHYPWSLJNEIH-HZSPNIEDSA-N
MW253.34 g/mol
LogP1.55
Rot. Bonds4

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

N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076542) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59076542
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESC=C[C@@]1(O)CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C14H23NO3/c1-6-14(17)8-10(4)7-12(18-9(2)3)13(14)15-11(5)16/h6-7,9,12-13,17H,1,8H2,2-5H3,(H,15,16)/t12-,13+,14-/m1/s1
InChIKeyRAEHYPWSLJNEIH-HZSPNIEDSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R,6R)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 58150806
N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076453
N-[(1R,2R,6R)-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076457
N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076479
[(1R,5R,6R)-6-acetamido-3-methyl-5-propan-2-yloxycyclohex-3-en-1-yl] acetate
CID 59076482
N-[(1R,2R,6S)-4-methyl-2-propan-2-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076486
N-[(1R,2R,6S)-6-ethenyl-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076498
N-[(1R,2R,6R)-6-ethenyl-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076501
N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide
CID 59076544
N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076560
N-[(1R,6S)-4-methyl-2-propan-2-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076604
N-[(6S)-2-hydroxy-4,6-dimethylcyclohex-3-en-1-yl]acetamide;uranium
CID 59954524

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (CID 59076542) is N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is C=C[C@@]1(O)CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is RAEHYPWSLJNEIH-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-14(17)8-10(4)7-12(18-9(2)3)13(14)15-11(5)16/h6-7,9,12-13,17H,1,8H2,2-5H3,(H,15,16)/t12-,13+,14-/m1/s1.
What are the key properties of N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 253.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).