N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide

C16H28N2O2 — CID 99832466

IUPACN-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1
InChIInChI=1S/C16H28N2O2/c1-12-5-4-6-13(2)16(12)11-18-7-8-20-15(10-18)9-17-14(3)19/h5,13,15-16H,4,6-11H2,1-3H3,(H,17,19)/t13-,15+,16-/m0/s1
InChIKeyNECLUUSXMKWBHS-IMJJTQAJSA-N
MW280.41 g/mol
LogP1.82
Rot. Bonds4

About N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide

N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide (PubChem CID 99832466) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide
PubChem CID99832466
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1
InChIInChI=1S/C16H28N2O2/c1-12-5-4-6-13(2)16(12)11-18-7-8-20-15(10-18)9-17-14(3)19/h5,13,15-16H,4,6-11H2,1-3H3,(H,17,19)/t13-,15+,16-/m0/s1
InChIKeyNECLUUSXMKWBHS-IMJJTQAJSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide (CID 99832466) is N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1.
What is the InChIKey of N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is NECLUUSXMKWBHS-IMJJTQAJSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12-5-4-6-13(2)16(12)11-18-7-8-20-15(10-18)9-17-14(3)19/h5,13,15-16H,4,6-11H2,1-3H3,(H,17,19)/t13-,15+,16-/m0/s1.
What are the key properties of N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide?
N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 280.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 99832466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).