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

C17H29NO3 — CID 59076546

IUPACN-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(C)C[C@H](CC2CO2)[C@H]1NC(C)=O
InChIInChI=1S/C17H29NO3/c1-5-14(6-2)21-16-8-11(3)7-13(9-15-10-20-15)17(16)18-12(4)19/h8,13-17H,5-7,9-10H2,1-4H3,(H,18,19)/t13-,15?,16-,17-/m1/s1
InChIKeyNMBDCAMLDAAXDH-SCLBYZPPSA-N
MW295.42 g/mol
LogP2.82
Rot. Bonds7

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

N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076546) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59076546
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCC(CC)O[C@@H]1C=C(C)C[C@H](CC2CO2)[C@H]1NC(C)=O
InChIInChI=1S/C17H29NO3/c1-5-14(6-2)21-16-8-11(3)7-13(9-15-10-20-15)17(16)18-12(4)19/h8,13-17H,5-7,9-10H2,1-4H3,(H,18,19)/t13-,15?,16-,17-/m1/s1
InChIKeyNMBDCAMLDAAXDH-SCLBYZPPSA-N
XLogP2.82
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.82
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,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide (CID 59076546) is N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is CCC(CC)O[C@@H]1C=C(C)C[C@H](CC2CO2)[C@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is NMBDCAMLDAAXDH-SCLBYZPPSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-14(6-2)21-16-8-11(3)7-13(9-15-10-20-15)17(16)18-12(4)19/h8,13-17H,5-7,9-10H2,1-4H3,(H,18,19)/t13-,15?,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 295.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R)-4-methyl-6-(oxiran-2-ylmethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).