2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide

C18H30N2O4 — CID 99714458

IUPAC2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O
InChIInChI=1S/C18H30N2O4/c1-12(19-17(23)18(2,3)4)16(22)20-9-10-24-11-14(20)13-7-5-6-8-15(13)21/h12-14H,5-11H2,1-4H3,(H,19,23)/t12-,13-,14-/m0/s1
InChIKeyIGNSLWAADOQWKQ-IHRRRGAJSA-N
MW338.45 g/mol
LogP1.52
Rot. Bonds3

About 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide

2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide (PubChem CID 99714458) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide
PubChem CID99714458
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)C)C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O
InChIInChI=1S/C18H30N2O4/c1-12(19-17(23)18(2,3)4)16(22)20-9-10-24-11-14(20)13-7-5-6-8-15(13)21/h12-14H,5-11H2,1-4H3,(H,19,23)/t12-,13-,14-/m0/s1
InChIKeyIGNSLWAADOQWKQ-IHRRRGAJSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide (CID 99714458) is 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide is C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide?
The InChIKey is IGNSLWAADOQWKQ-IHRRRGAJSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-12(19-17(23)18(2,3)4)16(22)20-9-10-24-11-14(20)13-7-5-6-8-15(13)21/h12-14H,5-11H2,1-4H3,(H,19,23)/t12-,13-,14-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide?
2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide is sourced from PubChem (CID 99714458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).