2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide

C13H28N2O2 — CID 106349673

IUPAC2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)14-12(17)10(3)15-11(7-8-16)13(4,5)6/h9-11,15-16H,7-8H2,1-6H3,(H,14,17)
InChIKeyQUOYKWFVQJLQJN-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.29
Rot. Bonds6

About 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide

2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 106349673) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide
PubChem CID106349673
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)14-12(17)10(3)15-11(7-8-16)13(4,5)6/h9-11,15-16H,7-8H2,1-6H3,(H,14,17)
InChIKeyQUOYKWFVQJLQJN-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
4-hydroxy-N-propan-2-yl-2-(propan-2-ylamino)butanamide
CID 15486717
(2S)-2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methylpentanamide
CID 114176965
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349960
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106349899
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
3-(1-cyclopropylethylamino)-4,4-dimethylpentan-1-ol
CID 104925922
tert-butyl N-[(2S)-4-hydroxy-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 169302219
N-(1-hydroxy-4,4-dimethylpentan-3-yl)cycloheptanecarboxamide
CID 106353098
2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349913
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexanamide
CID 114176937
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide (CID 106349673) is 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NC(CCO)C(C)(C)C.
What is the InChIKey of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is QUOYKWFVQJLQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-9(2)14-12(17)10(3)15-11(7-8-16)13(4,5)6/h9-11,15-16H,7-8H2,1-6H3,(H,14,17).
What are the key properties of 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide?
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 244.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 106349673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).