(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide

C15H30N2O3 — CID 99790006

IUPAC(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)NCCCC(C)(C)CO)CCO1
InChIInChI=1S/C15H30N2O3/c1-5-15(4)11-17(9-10-20-15)13(19)16-8-6-7-14(2,3)12-18/h18H,5-12H2,1-4H3,(H,16,19)/t15-/m1/s1
InChIKeyPNNNAZKOZCQUKO-OAHLLOKOSA-N
MW286.42 g/mol
LogP2.00
Rot. Bonds6

About (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide

(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide (PubChem CID 99790006) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide
PubChem CID99790006
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide
SMILESCC[C@]1(C)CN(C(=O)NCCCC(C)(C)CO)CCO1
InChIInChI=1S/C15H30N2O3/c1-5-15(4)11-17(9-10-20-15)13(19)16-8-6-7-14(2,3)12-18/h18H,5-12H2,1-4H3,(H,16,19)/t15-/m1/s1
InChIKeyPNNNAZKOZCQUKO-OAHLLOKOSA-N
XLogP2.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide (CID 99790006) is (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide is CC[C@]1(C)CN(C(=O)NCCCC(C)(C)CO)CCO1.
What is the InChIKey of (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide?
The InChIKey is PNNNAZKOZCQUKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-15(4)11-17(9-10-20-15)13(19)16-8-6-7-14(2,3)12-18/h18H,5-12H2,1-4H3,(H,16,19)/t15-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide?
(2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-(5-hydroxy-4,4-dimethylpentyl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99790006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).