3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide

C10H22N2O2 — CID 114492987

IUPAC3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNCC(C)(O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)10(3,14)7-12-6-5-9(13)11-4/h8,12,14H,5-7H2,1-4H3,(H,11,13)
InChIKeyZOLISMOZGGJOKP-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.12
Rot. Bonds6

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

3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide (PubChem CID 114492987) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
PubChem CID114492987
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNCC(C)(O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)10(3,14)7-12-6-5-9(13)11-4/h8,12,14H,5-7H2,1-4H3,(H,11,13)
InChIKeyZOLISMOZGGJOKP-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.12
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-hydroxy-2-methylbutyl)amino]-N-methylpropanamide
CID 65111192
3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
CID 65111221
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 79623755
2-[(2-hydroxy-2,3-dimethylbutyl)amino]acetic acid
CID 114494765
N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]ethyl]cyclopropanecarboxamide
CID 114493669
3-(2,2-dimethylpropylamino)-N-propan-2-ylpropanamide
CID 62625182
2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
CID 114493558
3-[2-(dimethylamino)propylamino]-N-methylpropanamide
CID 62326245
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
2,3-dimethyl-1-(pent-4-ynylamino)butan-2-ol
CID 106221057
4-hydroxy-N,4-dimethylpentanamide
CID 131039941

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide (CID 114492987) is 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide is CNC(=O)CCNCC(C)(O)C(C)C.
What is the InChIKey of 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide?
The InChIKey is ZOLISMOZGGJOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)10(3,14)7-12-6-5-9(13)11-4/h8,12,14H,5-7H2,1-4H3,(H,11,13).
What are the key properties of 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide?
3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-methylpropanamide is sourced from PubChem (CID 114492987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).