N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide

C15H29NO3 — CID 109481380

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide
SMILESCCC(CC)(CO)CNC(=O)C(C)C1CCOCC1
InChIInChI=1S/C15H29NO3/c1-4-15(5-2,11-17)10-16-14(18)12(3)13-6-8-19-9-7-13/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyPUAYUPVLKLWHOZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.96
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide (PubChem CID 109481380) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide
PubChem CID109481380
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide
SMILESCCC(CC)(CO)CNC(=O)C(C)C1CCOCC1
InChIInChI=1S/C15H29NO3/c1-4-15(5-2,11-17)10-16-14(18)12(3)13-6-8-19-9-7-13/h12-13,17H,4-11H2,1-3H3,(H,16,18)
InChIKeyPUAYUPVLKLWHOZ-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-2-(oxan-4-yl)propanamide
CID 109476485
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
N-(3-hydroxypropyl)-2-(oxan-4-yl)propanamide
CID 109468079
2-methyl-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120686254
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
CID 107168157
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
CID 106255599
2-ethyl-2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450037
N-(2-bromoethyl)-2-cyclopropylpropanamide
CID 83154146
4-[(2-methylpropan-2-yl)oxy]-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120689181
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-2-yl)acetamide
CID 103843667
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 116678630
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
CID 126780011

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide (CID 109481380) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide is CCC(CC)(CO)CNC(=O)C(C)C1CCOCC1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide?
The InChIKey is PUAYUPVLKLWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-15(5-2,11-17)10-16-14(18)12(3)13-6-8-19-9-7-13/h12-13,17H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide has a molecular weight of 271.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 109481380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).