N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide

C13H26N2O3 — CID 110887574

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(O)CN1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-3-4-11(2)13(17)14-9-12(16)10-15-5-7-18-8-6-15/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyPOGKHPVVOYFLPG-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.23
Rot. Bonds7

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide (PubChem CID 110887574) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide
PubChem CID110887574
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCC(O)CN1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-3-4-11(2)13(17)14-9-12(16)10-15-5-7-18-8-6-15/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyPOGKHPVVOYFLPG-UHFFFAOYSA-N
XLogP0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-morpholin-4-ylpropyl)pentanamide
CID 110887202
2-(1-morpholin-4-ylpropan-2-ylamino)pentanoic acid
CID 83040790
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
(2S)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 107568380
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 103813602
1-morpholin-4-ylheptan-2-ol
CID 15312312
1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 113296449
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 78789816
ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
(2R)-1-morpholin-4-ylnonan-2-ol
CID 15188058
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide (CID 110887574) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide is CCCC(C)C(=O)NCC(O)CN1CCOCC1.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide?
The InChIKey is POGKHPVVOYFLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-4-11(2)13(17)14-9-12(16)10-15-5-7-18-8-6-15/h11-12,16H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide has a molecular weight of 258.36 g/mol, XLogP of 0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2-methylpentanamide is sourced from PubChem (CID 110887574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).