3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide

C9H20N2O3 — CID 104580249

IUPAC3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
SMILESCOCC(O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C9H20N2O3/c1-9(2,4-8(10)13)11-5-7(12)6-14-3/h7,11-12H,4-6H2,1-3H3,(H2,10,13)
InChIKeyNQBYPIWPRHLWLA-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.76
Rot. Bonds7

About 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide

3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide (PubChem CID 104580249) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
PubChem CID104580249
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
SMILESCOCC(O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C9H20N2O3/c1-9(2,4-8(10)13)11-5-7(12)6-14-3/h7,11-12H,4-6H2,1-3H3,(H2,10,13)
InChIKeyNQBYPIWPRHLWLA-UHFFFAOYSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
CID 106096310
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
CID 104580076
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
CID 104580081
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
CID 106096239
2-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 114143079
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide (CID 104580249) is 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide is COCC(O)CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide?
The InChIKey is NQBYPIWPRHLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,4-8(10)13)11-5-7(12)6-14-3/h7,11-12H,4-6H2,1-3H3,(H2,10,13).
What are the key properties of 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide?
3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide has a molecular weight of 204.27 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide is sourced from PubChem (CID 104580249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).