4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide

C9H19NO3 — CID 82724624

IUPAC4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
SMILESCC(O)CCC(=O)NOC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(11)5-6-8(12)10-13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyDTHGXTQCXWDHCY-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.99
Rot. Bonds4

About 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide

4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide (PubChem CID 82724624) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
PubChem CID82724624
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
SMILESCC(O)CCC(=O)NOC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-7(11)5-6-8(12)10-13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12)
InChIKeyDTHGXTQCXWDHCY-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(2-methylpropoxy)pentanamide
CID 82721233
2-chloro-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82720220
3-amino-3-methyl-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724126
3-cyclopentyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82723159
3-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82724015
4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 79192407
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
N-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxy)propanamide
CID 82724826
2-(dimethylamino)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724267
3-[(2-methylpropan-2-yl)oxyamino]-N-propan-2-ylpropanamide
CID 82723324
2,8-dihydroxynonan-5-one
CID 174799972
[2-(hydroxymethyl)-3-(4-hydroxypentanoyloxy)-2-methylpropyl] 4-hydroxypentanoate
CID 101287114

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide?
The IUPAC name of 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide (CID 82724624) is 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide?
The canonical SMILES for 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide is CC(O)CCC(=O)NOC(C)(C)C.
What is the InChIKey of 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide?
The InChIKey is DTHGXTQCXWDHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(11)5-6-8(12)10-13-9(2,3)4/h7,11H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide?
4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide has a molecular weight of 189.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide is sourced from PubChem (CID 82724624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).