3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide

C14H25NO3 — CID 123795700

IUPAC3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide
SMILESC=CCNC(=O)C(C)(C)C(O)C(C)(C)C(=O)CC
InChIInChI=1S/C14H25NO3/c1-7-9-15-12(18)14(5,6)11(17)13(3,4)10(16)8-2/h7,11,17H,1,8-9H2,2-6H3,(H,15,18)
InChIKeyQVNBAUTUCVLUQY-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.68
Rot. Bonds7

About 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide

3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide (PubChem CID 123795700) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide.

Molecular Properties

Compound Name3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide
PubChem CID123795700
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide
SMILESC=CCNC(=O)C(C)(C)C(O)C(C)(C)C(=O)CC
InChIInChI=1S/C14H25NO3/c1-7-9-15-12(18)14(5,6)11(17)13(3,4)10(16)8-2/h7,11,17H,1,8-9H2,2-6H3,(H,15,18)
InChIKeyQVNBAUTUCVLUQY-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide?
The IUPAC name of 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide (CID 123795700) is 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide.
What is the SMILES notation for 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide?
The canonical SMILES for 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide is C=CCNC(=O)C(C)(C)C(O)C(C)(C)C(=O)CC.
What is the InChIKey of 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide?
The InChIKey is QVNBAUTUCVLUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-7-9-15-12(18)14(5,6)11(17)13(3,4)10(16)8-2/h7,11,17H,1,8-9H2,2-6H3,(H,15,18).
What are the key properties of 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide?
3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide has a molecular weight of 255.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2,4,4-tetramethyl-5-oxo-N-prop-2-enylheptanamide is sourced from PubChem (CID 123795700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).