N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide

C12H25NO2 — CID 62679591

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide
SMILESCCC(CC)(CO)NC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO2/c1-6-11(4,5)10(15)13-12(7-2,8-3)9-14/h14H,6-9H2,1-5H3,(H,13,15)
InChIKeyRULNIVFXWIZWEM-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds6

About N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide

N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide (PubChem CID 62679591) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide
PubChem CID62679591
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide
SMILESCCC(CC)(CO)NC(=O)C(C)(C)CC
InChIInChI=1S/C12H25NO2/c1-6-11(4,5)10(15)13-12(7-2,8-3)9-14/h14H,6-9H2,1-5H3,(H,13,15)
InChIKeyRULNIVFXWIZWEM-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide (CID 62679591) is N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide is CCC(CC)(CO)NC(=O)C(C)(C)CC.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide?
The InChIKey is RULNIVFXWIZWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-11(4,5)10(15)13-12(7-2,8-3)9-14/h14H,6-9H2,1-5H3,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2,2-dimethylbutanamide is sourced from PubChem (CID 62679591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).