2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide

C11H21NO3 — CID 115187200

IUPAC2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
SMILESCC(C)C(CO)C(=O)NC1CCOCC1
InChIInChI=1S/C11H21NO3/c1-8(2)10(7-13)11(14)12-9-3-5-15-6-4-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyOMDYTNVNDPHIBS-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.55
Rot. Bonds4

About 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide

2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide (PubChem CID 115187200) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
PubChem CID115187200
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
SMILESCC(C)C(CO)C(=O)NC1CCOCC1
InChIInChI=1S/C11H21NO3/c1-8(2)10(7-13)11(14)12-9-3-5-15-6-4-9/h8-10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyOMDYTNVNDPHIBS-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
(2R)-N-[(3S)-oxolan-3-yl]-2-propan-2-ylpentanamide
CID 97329335
2-methyl-3-(methylamino)-N-(oxan-4-yl)propanamide
CID 79195500
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
tert-butyl N-hydroxy-N-[5-methyl-4-(oxan-4-ylcarbamoyl)hexyl]carbamate
CID 141155010
(2R)-3-methyl-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 79010158
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
CID 82821366
6-amino-2-methyl-N-(oxan-4-yl)heptanamide
CID 65290448
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide (CID 115187200) is 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide is CC(C)C(CO)C(=O)NC1CCOCC1.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide?
The InChIKey is OMDYTNVNDPHIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)10(7-13)11(14)12-9-3-5-15-6-4-9/h8-10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide?
2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide has a molecular weight of 215.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide is sourced from PubChem (CID 115187200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).