N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide

C19H33N3O4 — CID 171147093

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide
SMILESCN(C(=O)C=CCN1CCOCC1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C19H33N3O4/c1-20(18(23)6-3-7-21-8-12-25-13-9-21)16-4-2-5-17(19(16)24)22-10-14-26-15-11-22/h3,6,16-17,19,24H,2,4-5,7-15H2,1H3/t16-,17-,19-/m1/s1
InChIKeyBQEQNTDTWRIPFF-ZHALLVOQSA-N
MW367.49 g/mol
LogP-0.05
Rot. Bonds5

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide (PubChem CID 171147093) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide
PubChem CID171147093
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide
SMILESCN(C(=O)C=CCN1CCOCC1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C19H33N3O4/c1-20(18(23)6-3-7-21-8-12-25-13-9-21)16-4-2-5-17(19(16)24)22-10-14-26-15-11-22/h3,6,16-17,19,24H,2,4-5,7-15H2,1H3/t16-,17-,19-/m1/s1
InChIKeyBQEQNTDTWRIPFF-ZHALLVOQSA-N
XLogP-0.05
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide with MolForge

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Related Compounds

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
CID 171147140
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide
CID 110128117
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide
CID 110164982
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110128109
(E)-4-morpholin-4-ylbut-2-enoic acid
CID 22466617
(E)-N-(2,6-dimethylcyclohexyl)-4-morpholin-4-ylbut-2-enamide
CID 166318346
3-(4-fluorophenyl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 110165005
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide
CID 110127624
3-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methylpropanamide
CID 110163970
5-(4-fluorophenyl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110164987
(E)-6-(4-cyclopropylpiperazin-1-yl)-2-methylhex-4-en-3-one;(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 159904343
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylisoquinoline-1-carboxamide
CID 110127623

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide (CID 171147093) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide is CN(C(=O)C=CCN1CCOCC1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide?
The InChIKey is BQEQNTDTWRIPFF-ZHALLVOQSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-20(18(23)6-3-7-21-8-12-25-13-9-21)16-4-2-5-17(19(16)24)22-10-14-26-15-11-22/h3,6,16-17,19,24H,2,4-5,7-15H2,1H3/t16-,17-,19-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide has a molecular weight of 367.49 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 171147093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).