2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C19H34N2O3 — CID 122139787

IUPAC2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(C[C@@H]1CCCC[C@H]1O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H34N2O3/c22-17-7-3-2-6-16(17)14-18(23)20-15-19(8-4-1-5-9-19)21-10-12-24-13-11-21/h16-17,22H,1-15H2,(H,20,23)/t16-,17+/m0/s1
InChIKeyNCXYJPDJAYWJMQ-DLBZAZTESA-N
MW338.49 g/mol
LogP2.08
Rot. Bonds5

About 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 122139787) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID122139787
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(C[C@@H]1CCCC[C@H]1O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H34N2O3/c22-17-7-3-2-6-16(17)14-18(23)20-15-19(8-4-1-5-9-19)21-10-12-24-13-11-21/h16-17,22H,1-15H2,(H,20,23)/t16-,17+/m0/s1
InChIKeyNCXYJPDJAYWJMQ-DLBZAZTESA-N
XLogP2.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 119148717
3,3-dimethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 78789271
N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55530260
(2R)-2-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 51715596
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55479308
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119268174
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122565189

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 122139787) is 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is O=C(C[C@@H]1CCCC[C@H]1O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is NCXYJPDJAYWJMQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H34N2O3/c22-17-7-3-2-6-16(17)14-18(23)20-15-19(8-4-1-5-9-19)21-10-12-24-13-11-21/h16-17,22H,1-15H2,(H,20,23)/t16-,17+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 338.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 122139787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).