N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide

C17H26N4O3 — CID 171147140

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
SMILESCN(C(=O)C=Cc1cnc[nH]1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H26N4O3/c1-20(16(22)6-5-13-11-18-12-19-13)14-3-2-4-15(17(14)23)21-7-9-24-10-8-21/h5-6,11-12,14-15,17,23H,2-4,7-10H2,1H3,(H,18,19)/t14-,15-,17-/m1/s1
InChIKeyFWBLZQCPXAJWDY-BFYDXBDKSA-N
MW334.42 g/mol
LogP0.50
Rot. Bonds4

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide (PubChem CID 171147140) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
PubChem CID171147140
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
SMILESCN(C(=O)C=Cc1cnc[nH]1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H26N4O3/c1-20(16(22)6-5-13-11-18-12-19-13)14-3-2-4-15(17(14)23)21-7-9-24-10-8-21/h5-6,11-12,14-15,17,23H,2-4,7-10H2,1H3,(H,18,19)/t14-,15-,17-/m1/s1
InChIKeyFWBLZQCPXAJWDY-BFYDXBDKSA-N
XLogP0.50
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 171147093
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N,1-dimethylimidazole-4-carboxamide
CID 110128117
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-ylcyclohexyl]-N-methyl-5-phenyl-1H-pyrrole-2-carboxamide
CID 110164982
(E)-N-ethyl-3-(1H-imidazol-5-yl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 91652356
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
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110128109
3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 1178
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,2-dimethylpyridine-3-carboxamide
CID 110127624
ethane;(E)-4-(1H-imidazol-5-yl)but-3-en-2-one
CID 91008820
3-[(4R)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
CID 124963563

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide (CID 171147140) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide is CN(C(=O)C=Cc1cnc[nH]1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide?
The InChIKey is FWBLZQCPXAJWDY-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-20(16(22)6-5-13-11-18-12-19-13)14-3-2-4-15(17(14)23)21-7-9-24-10-8-21/h5-6,11-12,14-15,17,23H,2-4,7-10H2,1H3,(H,18,19)/t14-,15-,17-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-(1H-imidazol-5-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 171147140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).