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

C18H30N2O4 — CID 102560617

IUPAC2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCOCC1C1CCCCC1=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)
InChIKeyIGNSLWAADOQWKQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.52
Rot. Bonds3

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

2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide (PubChem CID 102560617) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide
PubChem CID102560617
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)N1CCOCC1C1CCCCC1=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)
InChIKeyIGNSLWAADOQWKQ-UHFFFAOYSA-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

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Related Compounds

2,2-dimethyl-N-[(2S)-1-oxo-1-[(3R)-3-[(1S)-2-oxocyclohexyl]morpholin-4-yl]propan-2-yl]propanamide
CID 99714458
(3R)-N-ethyl-3-[(1S)-2-oxocyclohexyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 99717026
2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one
CID 146094448
(2R)-2-[(3S)-4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)morpholin-3-yl]cyclohexan-1-one
CID 99702798
(2R)-2-[(3S)-4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)morpholin-3-yl]cyclohexan-1-one
CID 99714523
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 80710970
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79535858
2-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539704
(2R)-2-[(3R)-4-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)morpholin-3-yl]cyclohexan-1-one
CID 97067364
2-[1-(2-methoxypropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 115870238
2-methylpropyl 2-(2-oxocyclohexyl)pyrrolidine-1-carboxylate
CID 79545937
(2S)-1-[2-(2,2-dimethylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61137826

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide (CID 102560617) is 2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)N1CCOCC1C1CCCCC1=O.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide?
The InChIKey is IGNSLWAADOQWKQ-UHFFFAOYSA-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).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-[3-(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-[1-oxo-1-[3-(2-oxocyclohexyl)morpholin-4-yl]propan-2-yl]propanamide is sourced from PubChem (CID 102560617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).