N-(1-hydroxy-3-methylpentan-3-yl)propanamide

C9H19NO2 — CID 103946136

IUPACN-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(=O)NC(C)(CC)CCO
InChIInChI=1S/C9H19NO2/c1-4-8(12)10-9(3,5-2)6-7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyDXZYTDMZHVRJDL-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.06
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)propanamide

N-(1-hydroxy-3-methylpentan-3-yl)propanamide (PubChem CID 103946136) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)propanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)propanamide
PubChem CID103946136
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(=O)NC(C)(CC)CCO
InChIInChI=1S/C9H19NO2/c1-4-8(12)10-9(3,5-2)6-7-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyDXZYTDMZHVRJDL-UHFFFAOYSA-N
XLogP1.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 104920642
N-(1-hydroxy-3-methylpentan-3-yl)-2-(propylamino)acetamide
CID 106176447
2-cyclopropyl-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945988
N-(1-hydroxy-3-methylpentan-3-yl)-3,4,4-trimethylpentanamide
CID 103945842
N-(1-hydroxy-3-methylpentan-3-yl)-2,2-dimethylbutanamide
CID 106166843
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
3-amino-N-(1-hydroxy-3-methylpentan-3-yl)pentanamide
CID 106176293
N-(1-chloro-2-methylbutan-2-yl)propanamide
CID 114303581
(E)-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-oxobut-2-enoic acid
CID 106167908
2-(4-acetamidophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103946030
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylhexanamide
CID 106176028
2-(4-ethoxyphenoxy)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945438

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)propanamide (CID 103946136) is N-(1-hydroxy-3-methylpentan-3-yl)propanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)propanamide is CCC(=O)NC(C)(CC)CCO.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The InChIKey is DXZYTDMZHVRJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-8(12)10-9(3,5-2)6-7-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
N-(1-hydroxy-3-methylpentan-3-yl)propanamide has a molecular weight of 173.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)propanamide is sourced from PubChem (CID 103946136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).