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

C14H25NO3 — CID 59076479

IUPACN-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](CCO)CC(C)=C[C@H]1OC(C)C
InChIInChI=1S/C14H25NO3/c1-9(2)18-13-8-10(3)7-12(5-6-16)14(13)15-11(4)17/h8-9,12-14,16H,5-7H2,1-4H3,(H,15,17)/t12-,13+,14+/m0/s1
InChIKeyZELOLHJNKKSOQH-BFHYXJOUSA-N
MW255.36 g/mol
LogP1.63
Rot. Bonds5

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

N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076479) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59076479
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@@H](CCO)CC(C)=C[C@H]1OC(C)C
InChIInChI=1S/C14H25NO3/c1-9(2)18-13-8-10(3)7-12(5-6-16)14(13)15-11(4)17/h8-9,12-14,16H,5-7H2,1-4H3,(H,15,17)/t12-,13+,14+/m0/s1
InChIKeyZELOLHJNKKSOQH-BFHYXJOUSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.63
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
2-[(1R,5R,6R)-6-acetamido-3-methyl-5-pentan-3-yloxycyclohex-3-en-1-yl]acetic acid
CID 59076477
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
2-[(1R,5R,6R)-6-acetamido-3-methyl-5-propan-2-yloxycyclohex-3-en-1-yl]acetic acid
CID 59076507
N-[(1R,2R,6R)-6-(3-azido-2-hydroxypropyl)-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 59076522
N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076542
N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 59076546
N-[(1R,2R,6S)-4-methyl-6-(2-methylpropyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076560

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (CID 59076479) is N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is CC(=O)N[C@@H]1[C@@H](CCO)CC(C)=C[C@H]1OC(C)C.
What is the InChIKey of N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is ZELOLHJNKKSOQH-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)18-13-8-10(3)7-12(5-6-16)14(13)15-11(4)17/h8-9,12-14,16H,5-7H2,1-4H3,(H,15,17)/t12-,13+,14+/m0/s1.
What are the key properties of N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).