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

C14H24N2O2 — CID 99790031

IUPAC(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide
SMILESCC1=CCC[C@H](C)[C@H]1CN1CCO[C@H](C(N)=O)C1
InChIInChI=1S/C14H24N2O2/c1-10-4-3-5-11(2)12(10)8-16-6-7-18-13(9-16)14(15)17/h4,11-13H,3,5-9H2,1-2H3,(H2,15,17)/t11-,12-,13-/m0/s1
InChIKeyNPDGOOAUTQYALC-AVGNSLFASA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds3

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

(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide (PubChem CID 99790031) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide
PubChem CID99790031
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide
SMILESCC1=CCC[C@H](C)[C@H]1CN1CCO[C@H](C(N)=O)C1
InChIInChI=1S/C14H24N2O2/c1-10-4-3-5-11(2)12(10)8-16-6-7-18-13(9-16)14(15)17/h4,11-13H,3,5-9H2,1-2H3,(H2,15,17)/t11-,12-,13-/m0/s1
InChIKeyNPDGOOAUTQYALC-AVGNSLFASA-N
XLogP1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide with MolForge

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Related Compounds

(2R,6R)-4-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 129429790
N-[[(2R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholin-2-yl]methyl]acetamide
CID 99832466
4-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,4-diazepane-1-carboxamide
CID 129401310
[1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 99857996
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
(2S)-2-[4-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 99786973
1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 99858017
(9aS)-2-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 124829802
4-(cyanomethyl)morpholine-2-carboxamide
CID 130674301
1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 99832402
4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]morpholine-2-carboxamide
CID 47088134
4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide
CID 167822287

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide (CID 99790031) is (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide is CC1=CCC[C@H](C)[C@H]1CN1CCO[C@H](C(N)=O)C1.
What is the InChIKey of (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide?
The InChIKey is NPDGOOAUTQYALC-AVGNSLFASA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-4-3-5-11(2)12(10)8-16-6-7-18-13(9-16)14(15)17/h4,11-13H,3,5-9H2,1-2H3,(H2,15,17)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide?
(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.16, 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]morpholine-2-carboxamide is sourced from PubChem (CID 99790031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).