4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide

C9H19NO3 — CID 176553127

IUPAC4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
SMILESCC(C)(CCO)C(=O)NCCCO
InChIInChI=1S/C9H19NO3/c1-9(2,4-7-12)8(13)10-5-3-6-11/h11-12H,3-7H2,1-2H3,(H,10,13)
InChIKeyTVHPQKQIMRHOCO-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.11
Rot. Bonds6

About 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide

4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide (PubChem CID 176553127) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
PubChem CID176553127
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
SMILESCC(C)(CCO)C(=O)NCCCO
InChIInChI=1S/C9H19NO3/c1-9(2,4-7-12)8(13)10-5-3-6-11/h11-12H,3-7H2,1-2H3,(H,10,13)
InChIKeyTVHPQKQIMRHOCO-UHFFFAOYSA-N
XLogP-0.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide
CID 123949193
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)oxy-2,2-dimethylbutanamide
CID 58881510
3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115517695
N-butyl-2,2,5-trimethylhexanamide
CID 145422242
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
N-[3-(2,5-dioxopyrrol-1-yl)butyl]-4-hydroxy-2,2-dimethylbutanamide
CID 176989879
2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
CID 155665020

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide?
The IUPAC name of 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide (CID 176553127) is 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide is CC(C)(CCO)C(=O)NCCCO.
What is the InChIKey of 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide?
The InChIKey is TVHPQKQIMRHOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,4-7-12)8(13)10-5-3-6-11/h11-12H,3-7H2,1-2H3,(H,10,13).
What are the key properties of 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide?
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide has a molecular weight of 189.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 176553127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).