2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

C13H28N2O2 — CID 106349913

IUPAC2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCCC(C)NCC(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-6-10(2)14-9-12(17)15-11(7-8-16)13(3,4)5/h10-11,14,16H,6-9H2,1-5H3,(H,15,17)
InChIKeyCUSVYCANFOBOJJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.29
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (PubChem CID 106349913) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
PubChem CID106349913
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCCC(C)NCC(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-6-10(2)14-9-12(17)15-11(7-8-16)13(3,4)5/h10-11,14,16H,6-9H2,1-5H3,(H,15,17)
InChIKeyCUSVYCANFOBOJJ-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

(2R)-2-[[2-(butan-2-ylamino)acetyl]amino]-4-hydroxybutanoic acid
CID 107825058
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349960
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 104891892
(1-hydroxy-4,4-dimethylpentan-3-yl)carbamic acid
CID 87203972
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106349899
2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid
CID 106348531
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
N-[2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-oxoethyl]benzamide
CID 103941024
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
CID 106353241
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
2-(butan-2-ylamino)-N-(1-cyanobutan-2-yl)acetamide
CID 62645665
2-[[(2S)-butan-2-yl]amino]-N-[2-[[2-[[(2R)-butan-2-yl]amino]acetyl]amino]ethyl]acetamide
CID 26058062

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (CID 106349913) is 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is CCC(C)NCC(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The InChIKey is CUSVYCANFOBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-10(2)14-9-12(17)15-11(7-8-16)13(3,4)5/h10-11,14,16H,6-9H2,1-5H3,(H,15,17).
What are the key properties of 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide has a molecular weight of 244.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 106349913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).