4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide

C9H19NO3 — CID 79192407

IUPAC4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
SMILESCC(O)CCC(=O)NCC(C)(C)O
InChIInChI=1S/C9H19NO3/c1-7(11)4-5-8(12)10-6-9(2,3)13/h7,11,13H,4-6H2,1-3H3,(H,10,12)
InChIKeyDIGMVTQCXSWHGM-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.03
Rot. Bonds5

About 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide

4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide (PubChem CID 79192407) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
PubChem CID79192407
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
SMILESCC(O)CCC(=O)NCC(C)(C)O
InChIInChI=1S/C9H19NO3/c1-7(11)4-5-8(12)10-6-9(2,3)13/h7,11,13H,4-6H2,1-3H3,(H,10,12)
InChIKeyDIGMVTQCXSWHGM-UHFFFAOYSA-N
XLogP0.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(2-hydroxy-2-methylpentyl)pentanamide
CID 106295714
4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106295708
(2R)-2-hydroxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 131159624
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
N-(2-hydroxy-2-methylpropyl)-4-(methylamino)butanamide
CID 65107193
2-chloro-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65105534
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
ethane;N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 145182364
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854
4-hydroxy-N-(2-methylbutyl)pentanamide
CID 79193367
4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 82724624

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide (CID 79192407) is 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide is CC(O)CCC(=O)NCC(C)(C)O.
What is the InChIKey of 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide?
The InChIKey is DIGMVTQCXSWHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-7(11)4-5-8(12)10-6-9(2,3)13/h7,11,13H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide?
4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide has a molecular weight of 189.25 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide is sourced from PubChem (CID 79192407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).