3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide

C9H20N2O2 — CID 65111192

IUPAC3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
SMILESCCC(C)(O)CNCCC(=O)NC
InChIInChI=1S/C9H20N2O2/c1-4-9(2,13)7-11-6-5-8(12)10-3/h11,13H,4-7H2,1-3H3,(H,10,12)
InChIKeyOMVNMMYOIDJXIY-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.13
Rot. Bonds6

About 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide

3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide (PubChem CID 65111192) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
PubChem CID65111192
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
SMILESCCC(C)(O)CNCCC(=O)NC
InChIInChI=1S/C9H20N2O2/c1-4-9(2,13)7-11-6-5-8(12)10-3/h11,13H,4-7H2,1-3H3,(H,10,12)
InChIKeyOMVNMMYOIDJXIY-UHFFFAOYSA-N
XLogP-0.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
CID 65111221
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
CID 114492987
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 79623755
3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65106616
N-ethyl-3-[(2-hydroxy-2-methylpropyl)amino]propanamide
CID 65106246
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
2-methyl-1-(7-methyloctylamino)butan-2-ol
CID 104985805
4-hydroxy-N,4-dimethylpentanamide
CID 131039941
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentan-3-ylacetamide
CID 65111812
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide (CID 65111192) is 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide is CCC(C)(O)CNCCC(=O)NC.
What is the InChIKey of 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide?
The InChIKey is OMVNMMYOIDJXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-9(2,13)7-11-6-5-8(12)10-3/h11,13H,4-7H2,1-3H3,(H,10,12).
What are the key properties of 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide?
3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide has a molecular weight of 188.27 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylbutyl)amino]-N-methylpropanamide is sourced from PubChem (CID 65111192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).