2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide

C13H28N2O2 — CID 104891892

IUPAC2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC(CCO)C(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-11(4)15-13(17)9-14-12(7-8-16)10(2)3/h10-12,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyLSQCCJCQOYHPLT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.29
Rot. Bonds9

About 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide

2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide (PubChem CID 104891892) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
PubChem CID104891892
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC(CCO)C(C)C
InChIInChI=1S/C13H28N2O2/c1-5-6-11(4)15-13(17)9-14-12(7-8-16)10(2)3/h10-12,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyLSQCCJCQOYHPLT-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
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

2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
2-(but-3-yn-2-ylamino)-N-pentan-2-ylacetamide
CID 114416749
N,N-diethyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104696156
2-(butan-2-ylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349913
2-(4-hydroxybutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 83177784
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
CID 54963536
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
N-cyclohexyl-2-[(1-hydroxy-4-methylpentan-3-yl)amino]acetamide
CID 104892038

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide (CID 104891892) is 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNC(CCO)C(C)C.
What is the InChIKey of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide?
The InChIKey is LSQCCJCQOYHPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-11(4)15-13(17)9-14-12(7-8-16)10(2)3/h10-12,14,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide?
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide has a molecular weight of 244.38 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 104891892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).