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

C15H25NO3 — CID 59076613

IUPACN-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1C(CC2CO2)CC(C)=C[C@H]1OC(C)C
InChIInChI=1S/C15H25NO3/c1-9(2)19-14-6-10(3)5-12(7-13-8-18-13)15(14)16-11(4)17/h6,9,12-15H,5,7-8H2,1-4H3,(H,16,17)/t12?,13?,14-,15-/m1/s1
InChIKeyXJXCFZLAIKOZME-NEXFUWMNSA-N
MW267.37 g/mol
LogP2.04
Rot. Bonds5

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

N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076613) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59076613
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1C(CC2CO2)CC(C)=C[C@H]1OC(C)C
InChIInChI=1S/C15H25NO3/c1-9(2)19-14-6-10(3)5-12(7-13-8-18-13)15(14)16-11(4)17/h6,9,12-15H,5,7-8H2,1-4H3,(H,16,17)/t12?,13?,14-,15-/m1/s1
InChIKeyXJXCFZLAIKOZME-NEXFUWMNSA-N
XLogP2.04
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (CID 59076613) is N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is CC(=O)N[C@@H]1C(CC2CO2)CC(C)=C[C@H]1OC(C)C.
What is the InChIKey of N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is XJXCFZLAIKOZME-NEXFUWMNSA-N. The full InChI is InChI=1S/C15H25NO3/c1-9(2)19-14-6-10(3)5-12(7-13-8-18-13)15(14)16-11(4)17/h6,9,12-15H,5,7-8H2,1-4H3,(H,16,17)/t12?,13?,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 267.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-methyl-6-(oxiran-2-ylmethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).