(2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide

C18H32N4O3 — CID 154795492

IUPAC(2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1
InChIInChI=1S/C18H32N4O3/c1-13-17(21-9-11-25-12-10-21)7-8-22(13)18(24)20-16-5-3-15(4-6-16)19-14(2)23/h13,15-17H,3-12H2,1-2H3,(H,19,23)(H,20,24)/t13-,15?,16?,17-/m1/s1
InChIKeyMYQKFQXBMMIFDR-LHUBUQBQSA-N
MW352.48 g/mol
LogP0.94
Rot. Bonds3

About (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide

(2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide (PubChem CID 154795492) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide
PubChem CID154795492
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name(2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide
SMILESCC(=O)NC1CCC(NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1
InChIInChI=1S/C18H32N4O3/c1-13-17(21-9-11-25-12-10-21)7-8-22(13)18(24)20-16-5-3-15(4-6-16)19-14(2)23/h13,15-17H,3-12H2,1-2H3,(H,19,23)(H,20,24)/t13-,15?,16?,17-/m1/s1
InChIKeyMYQKFQXBMMIFDR-LHUBUQBQSA-N
XLogP0.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 126816311
[6-(methylamino)-3-pyridinyl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 154758780
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
N-(4-ethylcyclohexyl)morpholine-4-carboxamide
CID 115589164
(2,6-dimethylquinolin-4-yl)-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 154758772
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
N-cyclobutyl-2-methylpyrrolidine-1-carboxamide
CID 115664840
N-[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]morpholine-4-carboxamide
CID 126821611
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)acetamide
CID 171701231
[(1S)-3-morpholin-4-ylcyclopentyl]carbamic acid
CID 135309610
[(3S)-3-morpholin-4-ylcyclopentyl]carbamic acid
CID 67502232
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-pyrido[2,3-b]pyrazin-6-ylmethanone
CID 126810159

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide (CID 154795492) is (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide is CC(=O)NC1CCC(NC(=O)N2CC[C@@H](N3CCOCC3)[C@H]2C)CC1.
What is the InChIKey of (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is MYQKFQXBMMIFDR-LHUBUQBQSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-13-17(21-9-11-25-12-10-21)7-8-22(13)18(24)20-16-5-3-15(4-6-16)19-14(2)23/h13,15-17H,3-12H2,1-2H3,(H,19,23)(H,20,24)/t13-,15?,16?,17-/m1/s1.
What are the key properties of (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide?
(2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(4-acetamidocyclohexyl)-2-methyl-3-morpholin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 154795492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).