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

C15H26N2O2 — CID 99790059

IUPAC(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1
InChIInChI=1S/C15H26N2O2/c1-11-5-4-6-12(2)13(11)9-17-7-8-19-14(10-17)15(18)16-3/h5,12-14H,4,6-10H2,1-3H3,(H,16,18)/t12-,13-,14-/m0/s1
InChIKeyPGGQKQHWQXKNTH-IHRRRGAJSA-N
MW266.38 g/mol
LogP1.43
Rot. Bonds3

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

(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 99790059) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID99790059
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1
InChIInChI=1S/C15H26N2O2/c1-11-5-4-6-12(2)13(11)9-17-7-8-19-14(10-17)15(18)16-3/h5,12-14H,4,6-10H2,1-3H3,(H,16,18)/t12-,13-,14-/m0/s1
InChIKeyPGGQKQHWQXKNTH-IHRRRGAJSA-N
XLogP1.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.43
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 (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide (CID 99790059) is (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(C[C@H]2C(C)=CCC[C@@H]2C)CCO1.
What is the InChIKey of (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is PGGQKQHWQXKNTH-IHRRRGAJSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11-5-4-6-12(2)13(11)9-17-7-8-19-14(10-17)15(18)16-3/h5,12-14H,4,6-10H2,1-3H3,(H,16,18)/t12-,13-,14-/m0/s1.
What are the key properties of (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 99790059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).