3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide

C14H21NO2 — CID 44560511

IUPAC3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C(O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-10-15-13(17)14(2,3)12(16)11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,15,17)
InChIKeyHDLYVGNOHJFHSK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds5

About 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide

3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide (PubChem CID 44560511) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide
PubChem CID44560511
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C(O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-4-10-15-13(17)14(2,3)12(16)11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,15,17)
InChIKeyHDLYVGNOHJFHSK-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide (CID 44560511) is 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide is CCCNC(=O)C(C)(C)C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide?
The InChIKey is HDLYVGNOHJFHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-15-13(17)14(2,3)12(16)11-8-6-5-7-9-11/h5-9,12,16H,4,10H2,1-3H3,(H,15,17).
What are the key properties of 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide?
3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 44560511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).