N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide

C12H25NO3 — CID 103843568

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(CC)(CC)CO
InChIInChI=1S/C12H25NO3/c1-4-7-16-8-11(15)13-9-12(5-2,6-3)10-14/h14H,4-10H2,1-3H3,(H,13,15)
InChIKeyPRWCSORDZWWPPC-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.33
Rot. Bonds9

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide (PubChem CID 103843568) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
PubChem CID103843568
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC(CC)(CC)CO
InChIInChI=1S/C12H25NO3/c1-4-7-16-8-11(15)13-9-12(5-2,6-3)10-14/h14H,4-10H2,1-3H3,(H,13,15)
InChIKeyPRWCSORDZWWPPC-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090
N-(2-amino-2-ethylbutyl)-2-propoxyacetamide;hydrochloride
CID 119641121
N-[2-(bromomethyl)-2-ethylbutyl]-2-ethoxyacetamide
CID 106254886
N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
CID 103713311
N-[2-ethyl-2-(hydroxymethyl)butyl]octanamide
CID 113331570
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)-2-propoxyacetamide
CID 107939067
5-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]pentanamide
CID 106253070
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 106255080
N-(2-bromoethyl)-2-propoxyacetamide
CID 107941217
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
N-[2-ethyl-2-(hydroxymethyl)butyl]-4,4,4-trifluorobutanamide
CID 103843928

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide (CID 103843568) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide is CCCOCC(=O)NCC(CC)(CC)CO.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide?
The InChIKey is PRWCSORDZWWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-7-16-8-11(15)13-9-12(5-2,6-3)10-14/h14H,4-10H2,1-3H3,(H,13,15).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-propoxyacetamide has a molecular weight of 231.34 g/mol, XLogP of 1.33, 9 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-propoxyacetamide is sourced from PubChem (CID 103843568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).