2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide

C10H20NO4+ — CID 123949193

IUPAC2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide
SMILES[CH2+]C(C)(CO)C(C)(O)C(=O)NCCCO
InChIInChI=1S/C10H19NO4/c1-9(2,7-13)10(3,15)8(14)11-5-4-6-12/h12-13,15H,1,4-7H2,2-3H3/p+1
InChIKeyPWXUGHWNWIVRRQ-UHFFFAOYSA-O
MW218.27 g/mol
LogP-0.93
Rot. Bonds6

About 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide

2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide (PubChem CID 123949193) has the molecular formula C10H20NO4+ and a molecular weight of 218.27 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide
PubChem CID123949193
Molecular FormulaC10H20NO4+
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide
SMILES[CH2+]C(C)(CO)C(C)(O)C(=O)NCCCO
InChIInChI=1S/C10H19NO4/c1-9(2,7-13)10(3,15)8(14)11-5-4-6-12/h12-13,15H,1,4-7H2,2-3H3/p+1
InChIKeyPWXUGHWNWIVRRQ-UHFFFAOYSA-O
XLogP-0.93
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
CID 61059693
2,4-dihydroxy-3-(hydroxymethyl)-N-(3-hydroxypropyl)-3-methylbutanamide
CID 54521307
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
3-hydroxy-2,2-dimethyl-N-pentylpropanamide
CID 171795881
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2,2,2-trichloro-N-(5-hydroxypentyl)acetamide
CID 110839292
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide?
The IUPAC name of 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide (CID 123949193) is 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide.
What is the SMILES notation for 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide?
The canonical SMILES for 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide is [CH2+]C(C)(CO)C(C)(O)C(=O)NCCCO.
What is the InChIKey of 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide?
The InChIKey is PWXUGHWNWIVRRQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H19NO4/c1-9(2,7-13)10(3,15)8(14)11-5-4-6-12/h12-13,15H,1,4-7H2,2-3H3/p+1.
What are the key properties of 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide?
2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide has a molecular weight of 218.27 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(3-hydroxypropyl)-2,3-dimethyl-3-methylbutanamide is sourced from PubChem (CID 123949193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).