(3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide

C16H28N2O3 — CID 99717026

IUPAC(3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide
SMILESCCN(C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O)C(C)C
InChIInChI=1S/C16H28N2O3/c1-4-17(12(2)3)16(20)18-9-10-21-11-14(18)13-7-5-6-8-15(13)19/h12-14H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyFZCNRMYFOZDBPY-KBPBESRZSA-N
MW296.41 g/mol
LogP2.30
Rot. Bonds3

About (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide

(3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide (PubChem CID 99717026) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide
PubChem CID99717026
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide
SMILESCCN(C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O)C(C)C
InChIInChI=1S/C16H28N2O3/c1-4-17(12(2)3)16(20)18-9-10-21-11-14(18)13-7-5-6-8-15(13)19/h12-14H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyFZCNRMYFOZDBPY-KBPBESRZSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide (CID 99717026) is (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide is CCN(C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O)C(C)C.
What is the InChIKey of (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide?
The InChIKey is FZCNRMYFOZDBPY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-17(12(2)3)16(20)18-9-10-21-11-14(18)13-7-5-6-8-15(13)19/h12-14H,4-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide?
(3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 99717026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).