2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide

C13H28N2O2 — CID 54961686

IUPAC2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)CC(CO)NCC(=O)NC(C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)6-12(8-16)14-7-13(17)15-11(5)10(3)4/h9-12,14,16H,6-8H2,1-5H3,(H,15,17)
InChIKeyKVIIFORLSHFOMS-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.14
Rot. Bonds8

About 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide

2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 54961686) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID54961686
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)CC(CO)NCC(=O)NC(C)C(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)6-12(8-16)14-7-13(17)15-11(5)10(3)4/h9-12,14,16H,6-8H2,1-5H3,(H,15,17)
InChIKeyKVIIFORLSHFOMS-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60689682
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanoate
CID 60691411
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 104644120
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]acetate
CID 61247456
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
4-methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
2-hydroxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 172508602
2-(4-hydroxybutylamino)-N-(3-methylbutan-2-yl)acetamide
CID 106841692
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanamide
CID 61489451
2-(2,3-dihydroxypropylamino)-N-(3-methylbutan-2-yl)acetamide
CID 66171224
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide (CID 54961686) is 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide is CC(C)CC(CO)NCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is KVIIFORLSHFOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-9(2)6-12(8-16)14-7-13(17)15-11(5)10(3)4/h9-12,14,16H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide?
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 244.38 g/mol, XLogP of 1.14, 8 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-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 54961686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).