N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide

C20H28N4O4 — CID 110163930

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
SMILESCn1c(COCC(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nc2ccccc21
InChIInChI=1S/C20H28N4O4/c1-23-16-5-3-2-4-14(16)21-18(23)12-28-13-19(25)22-15-6-7-17(20(15)26)24-8-10-27-11-9-24/h2-5,15,17,20,26H,6-13H2,1H3,(H,22,25)/t15-,17-,20-/m1/s1
InChIKeyKXFSQGZLXPKAPS-WRWLIDTKSA-N
MW388.47 g/mol
LogP0.43
Rot. Bonds6

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide (PubChem CID 110163930) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
PubChem CID110163930
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
SMILESCn1c(COCC(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nc2ccccc21
InChIInChI=1S/C20H28N4O4/c1-23-16-5-3-2-4-14(16)21-18(23)12-28-13-19(25)22-15-6-7-17(20(15)26)24-8-10-27-11-9-24/h2-5,15,17,20,26H,6-13H2,1H3,(H,22,25)/t15-,17-,20-/m1/s1
InChIKeyKXFSQGZLXPKAPS-WRWLIDTKSA-N
XLogP0.43
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide
CID 110127542
3-(2-ethylbenzimidazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]propanamide
CID 110163698
2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]pyridine-3-carboxamide
CID 110127556
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
4-[2-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]ethyl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 69461979
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N-methylpropanamide
CID 110163833
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide
CID 110128279
1-ethyl-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-5-methylpyrazole-3-carboxamide
CID 155983844
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
CID 110163998
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide (CID 110163930) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide is Cn1c(COCC(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nc2ccccc21.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide?
The InChIKey is KXFSQGZLXPKAPS-WRWLIDTKSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-23-16-5-3-2-4-14(16)21-18(23)12-28-13-19(25)22-15-6-7-17(20(15)26)24-8-10-27-11-9-24/h2-5,15,17,20,26H,6-13H2,1H3,(H,22,25)/t15-,17-,20-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide has a molecular weight of 388.47 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 110163930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).