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

C12H25NO2 — CID 62516883

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
SMILESCCC(CC)(CO)NC(=O)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-12(7-2,9-14)13-10(15)8-11(3,4)5/h14H,6-9H2,1-5H3,(H,13,15)
InChIKeyGVJOADAGCBCMQS-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds5

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

N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide (PubChem CID 62516883) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
PubChem CID62516883
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
SMILESCCC(CC)(CO)NC(=O)CC(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-12(7-2,9-14)13-10(15)8-11(3,4)5/h14H,6-9H2,1-5H3,(H,13,15)
InChIKeyGVJOADAGCBCMQS-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide (CID 62516883) is N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide is CCC(CC)(CO)NC(=O)CC(C)(C)C.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide?
The InChIKey is GVJOADAGCBCMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-12(7-2,9-14)13-10(15)8-11(3,4)5/h14H,6-9H2,1-5H3,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide?
N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 2.09, 5 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 62516883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).