(3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide

C19H36N2O3 — CID 124888777

IUPAC(3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide
SMILESC[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C19H36N2O3/c1-15(20-17(23)13-16(22)14-18(2,3)4)19(7-5-6-8-19)21-9-11-24-12-10-21/h15-16,22H,5-14H2,1-4H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyOWPWWWNAMRWPMC-HZPDHXFCSA-N
MW340.51 g/mol
LogP2.32
Rot. Bonds6

About (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide

(3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide (PubChem CID 124888777) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide
PubChem CID124888777
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name(3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide
SMILESC[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C19H36N2O3/c1-15(20-17(23)13-16(22)14-18(2,3)4)19(7-5-6-8-19)21-9-11-24-12-10-21/h15-16,22H,5-14H2,1-4H3,(H,20,23)/t15-,16-/m1/s1
InChIKeyOWPWWWNAMRWPMC-HZPDHXFCSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide?
The IUPAC name of (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide (CID 124888777) is (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide.
What is the SMILES notation for (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide?
The canonical SMILES for (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide is C[C@@H](NC(=O)C[C@@H](O)CC(C)(C)C)C1(N2CCOCC2)CCCC1.
What is the InChIKey of (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide?
The InChIKey is OWPWWWNAMRWPMC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-15(20-17(23)13-16(22)14-18(2,3)4)19(7-5-6-8-19)21-9-11-24-12-10-21/h15-16,22H,5-14H2,1-4H3,(H,20,23)/t15-,16-/m1/s1.
What are the key properties of (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide?
(3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide has a molecular weight of 340.51 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-5,5-dimethyl-N-[(1R)-1-(1-morpholin-4-ylcyclopentyl)ethyl]hexanamide is sourced from PubChem (CID 124888777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).