3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide

C13H27N3O3 — CID 106277571

IUPAC3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(O)CN1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-13(2,12(18)14-3)10-15-8-11(17)9-16-4-6-19-7-5-16/h11,15,17H,4-10H2,1-3H3,(H,14,18)
InChIKeyVGKJDGVUNNWHPS-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.96
Rot. Bonds7

About 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide

3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106277571) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide
PubChem CID106277571
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(O)CN1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-13(2,12(18)14-3)10-15-8-11(17)9-16-4-6-19-7-5-16/h11,15,17H,4-10H2,1-3H3,(H,14,18)
InChIKeyVGKJDGVUNNWHPS-UHFFFAOYSA-N
XLogP-0.96
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate
CID 83211878
1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 113296449
1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800
1-[(2-methylpropan-2-yl)oxyamino]-3-morpholin-4-ylpropan-2-ol
CID 82724312
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-(3-methylbut-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 103605552
N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
CID 115749017
1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010171
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
1-(2-chloroprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574804

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide (CID 106277571) is 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC(O)CN1CCOCC1.
What is the InChIKey of 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is VGKJDGVUNNWHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-13(2,12(18)14-3)10-15-8-11(17)9-16-4-6-19-7-5-16/h11,15,17H,4-10H2,1-3H3,(H,14,18).
What are the key properties of 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide?
3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 273.38 g/mol, XLogP of -0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).