3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide

C10H22N2O3 — CID 64678232

IUPAC3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
SMILESCOCC(O)CN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C10H22N2O3/c1-10(2,11)5-9(14)12(3)6-8(13)7-15-4/h8,13H,5-7,11H2,1-4H3
InChIKeyGKLKCQVVWSDRBD-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.42
Rot. Bonds6

About 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide

3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide (PubChem CID 64678232) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
PubChem CID64678232
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
SMILESCOCC(O)CN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C10H22N2O3/c1-10(2,11)5-9(14)12(3)6-8(13)7-15-4/h8,13H,5-7,11H2,1-4H3
InChIKeyGKLKCQVVWSDRBD-UHFFFAOYSA-N
XLogP-0.42
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N,2-dimethylpropanamide
CID 103747204
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651
3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylpropanamide
CID 81089598
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
3,3,3-trifluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)propanamide
CID 103310159
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895
4-cyclohexyl-N-(2-hydroxy-3-methoxypropyl)-N-methylbutanamide
CID 54993673
N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
CID 103908940
2-cyano-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 114291307

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide (CID 64678232) is 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide is COCC(O)CN(C)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide?
The InChIKey is GKLKCQVVWSDRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,11)5-9(14)12(3)6-8(13)7-15-4/h8,13H,5-7,11H2,1-4H3.
What are the key properties of 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide?
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 64678232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).