N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide

C12H25NO3 — CID 19772478

IUPACN,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCC(=O)N(CC(C)(C)CO)CC(C)(C)CO
InChIInChI=1S/C12H25NO3/c1-10(16)13(6-11(2,3)8-14)7-12(4,5)9-15/h14-15H,6-9H2,1-5H3
InChIKeyBMIPITBYXGCGJP-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.87
Rot. Bonds6

About N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide

N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide (PubChem CID 19772478) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide.

Molecular Properties

Compound NameN,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide
PubChem CID19772478
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide
SMILESCC(=O)N(CC(C)(C)CO)CC(C)(C)CO
InChIInChI=1S/C12H25NO3/c1-10(16)13(6-11(2,3)8-14)7-12(4,5)9-15/h14-15H,6-9H2,1-5H3
InChIKeyBMIPITBYXGCGJP-UHFFFAOYSA-N
XLogP0.87
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide?
The IUPAC name of N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide (CID 19772478) is N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide.
What is the SMILES notation for N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide?
The canonical SMILES for N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide is CC(=O)N(CC(C)(C)CO)CC(C)(C)CO.
What is the InChIKey of N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide?
The InChIKey is BMIPITBYXGCGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(16)13(6-11(2,3)8-14)7-12(4,5)9-15/h14-15H,6-9H2,1-5H3.
What are the key properties of N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide?
N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide has a molecular weight of 231.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide is sourced from PubChem (CID 19772478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).