4-hydroxy-N,4-dimethyl-3-phenylpentanamide

C13H19NO2 — CID 85222036

IUPAC4-hydroxy-N,4-dimethyl-3-phenylpentanamide
SMILESCNC(=O)CC(c1ccccc1)C(C)(C)O
InChIInChI=1S/C13H19NO2/c1-13(2,16)11(9-12(15)14-3)10-7-5-4-6-8-10/h4-8,11,16H,9H2,1-3H3,(H,14,15)
InChIKeyODPISIRJDJEMEO-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.68
Rot. Bonds4

About 4-hydroxy-N,4-dimethyl-3-phenylpentanamide

4-hydroxy-N,4-dimethyl-3-phenylpentanamide (PubChem CID 85222036) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-hydroxy-N,4-dimethyl-3-phenylpentanamide.

Molecular Properties

Compound Name4-hydroxy-N,4-dimethyl-3-phenylpentanamide
PubChem CID85222036
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-hydroxy-N,4-dimethyl-3-phenylpentanamide
SMILESCNC(=O)CC(c1ccccc1)C(C)(C)O
InChIInChI=1S/C13H19NO2/c1-13(2,16)11(9-12(15)14-3)10-7-5-4-6-8-10/h4-8,11,16H,9H2,1-3H3,(H,14,15)
InChIKeyODPISIRJDJEMEO-UHFFFAOYSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-hydroxy-N,4-dimethyl-3-phenylpentanamide
CID 10656608
N-methyl-3,3-diphenylpropanamide
CID 3373592
N-methyl-3-phenyl-3-trimethylsilylpropanamide
CID 16732522
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide
CID 102034056
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364
N-methyl-4,4-diphenylbutanamide
CID 125470248
[3-(methylamino)-3-oxo-1-phenylpropyl] carbamate
CID 175179381
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136
3,3-diphenyl-N-(trideuteriomethyl)propanamide
CID 46782233
4,4-dimethyl-3-phenylpentanamide
CID 82077159
N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,4-dimethyl-3-phenylpentanamide?
The IUPAC name of 4-hydroxy-N,4-dimethyl-3-phenylpentanamide (CID 85222036) is 4-hydroxy-N,4-dimethyl-3-phenylpentanamide.
What is the SMILES notation for 4-hydroxy-N,4-dimethyl-3-phenylpentanamide?
The canonical SMILES for 4-hydroxy-N,4-dimethyl-3-phenylpentanamide is CNC(=O)CC(c1ccccc1)C(C)(C)O.
What is the InChIKey of 4-hydroxy-N,4-dimethyl-3-phenylpentanamide?
The InChIKey is ODPISIRJDJEMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,16)11(9-12(15)14-3)10-7-5-4-6-8-10/h4-8,11,16H,9H2,1-3H3,(H,14,15).
What are the key properties of 4-hydroxy-N,4-dimethyl-3-phenylpentanamide?
4-hydroxy-N,4-dimethyl-3-phenylpentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,4-dimethyl-3-phenylpentanamide is sourced from PubChem (CID 85222036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).