N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide

C9H20N2O2 — CID 65107193

IUPACN-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(C)(C)O
InChIInChI=1S/C9H20N2O2/c1-9(2,13)7-11-8(12)5-4-6-10-3/h10,13H,4-7H2,1-3H3,(H,11,12)
InChIKeyAMNMHTWKYRDZBB-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.13
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide

N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide (PubChem CID 65107193) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
PubChem CID65107193
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(C)(C)O
InChIInChI=1S/C9H20N2O2/c1-9(2,13)7-11-8(12)5-4-6-10-3/h10,13H,4-7H2,1-3H3,(H,11,12)
InChIKeyAMNMHTWKYRDZBB-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

4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 115739817
N-(2,2-diethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119822011
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852
N-(2-cyclohexyl-2-methylpropyl)-4-(methylamino)butanamide
CID 115155864
2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
4-(methylamino)-N-[2-methyl-2-(5-methylfuran-2-yl)propyl]butanamide
CID 115155862
N-(cyanomethyl)-4-(methylamino)butanamide
CID 61254467
4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 79192407
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide (CID 65107193) is N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide is CNCCCC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide?
The InChIKey is AMNMHTWKYRDZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-9(2,13)7-11-8(12)5-4-6-10-3/h10,13H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide?
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide 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 N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide is sourced from PubChem (CID 65107193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).