2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide

C12H25NO2 — CID 154940442

IUPAC2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide
SMILESCNC(=O)C(CO)(CC(C)(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)12(8-14,10(15)13-6)7-11(3,4)5/h9,14H,7-8H2,1-6H3,(H,13,15)
InChIKeySRFCABYMQVBLFS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.80
Rot. Bonds4

About 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide

2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide (PubChem CID 154940442) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide
PubChem CID154940442
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide
SMILESCNC(=O)C(CO)(CC(C)(C)C)C(C)C
InChIInChI=1S/C12H25NO2/c1-9(2)12(8-14,10(15)13-6)7-11(3,4)5/h9,14H,7-8H2,1-6H3,(H,13,15)
InChIKeySRFCABYMQVBLFS-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide?
The IUPAC name of 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide (CID 154940442) is 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide?
The canonical SMILES for 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide is CNC(=O)C(CO)(CC(C)(C)C)C(C)C.
What is the InChIKey of 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide?
The InChIKey is SRFCABYMQVBLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)12(8-14,10(15)13-6)7-11(3,4)5/h9,14H,7-8H2,1-6H3,(H,13,15).
What are the key properties of 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide?
2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,4,4-trimethyl-2-propan-2-ylpentanamide is sourced from PubChem (CID 154940442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).