N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide

C11H23NO4 — CID 10609681

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide
SMILESCOC(CC(=O)N[C@H](CO)CC(C)C)OC
InChIInChI=1S/C11H23NO4/c1-8(2)5-9(7-13)12-10(14)6-11(15-3)16-4/h8-9,11,13H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyZJJJEQMEERTTJJ-VIFPVBQESA-N
MW233.31 g/mol
LogP0.52
Rot. Bonds8

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide (PubChem CID 10609681) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide
PubChem CID10609681
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide
SMILESCOC(CC(=O)N[C@H](CO)CC(C)C)OC
InChIInChI=1S/C11H23NO4/c1-8(2)5-9(7-13)12-10(14)6-11(15-3)16-4/h8-9,11,13H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyZJJJEQMEERTTJJ-VIFPVBQESA-N
XLogP0.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide
CID 63834362
(3R)-3-hydroxy-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5-oxohexanamide
CID 95790111
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
2-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61247343
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
(2R,3R)-2,3-diacetyloxy-4-[[(2R)-1-hydroxy-4-methylpentan-2-yl]amino]-4-oxobutanoic acid
CID 16743131
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]prop-2-enamide
CID 101481663
2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170
2-(4-aminocyclohexyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 62782742

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide (CID 10609681) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide is COC(CC(=O)N[C@H](CO)CC(C)C)OC.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide?
The InChIKey is ZJJJEQMEERTTJJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO4/c1-8(2)5-9(7-13)12-10(14)6-11(15-3)16-4/h8-9,11,13H,5-7H2,1-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide has a molecular weight of 233.31 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3,3-dimethoxypropanamide is sourced from PubChem (CID 10609681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).