3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide

C14H21NO3 — CID 142666314

IUPAC3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide
SMILESCC(C)(C(N)=O)C(O)CCOCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,13(15)17)12(16)8-9-18-10-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H2,15,17)
InChIKeyDGFYWNWALIODHA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds7

About 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide

3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide (PubChem CID 142666314) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide
PubChem CID142666314
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide
SMILESCC(C)(C(N)=O)C(O)CCOCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-14(2,13(15)17)12(16)8-9-18-10-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H2,15,17)
InChIKeyDGFYWNWALIODHA-UHFFFAOYSA-N
XLogP1.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
acetyl acetate;[1-(dimethylamino)-2,2-dimethyl-1-oxo-5-phenylmethoxypentan-3-yl] acetate;[(3R)-1-(dimethylamino)-2,2-dimethyl-1-oxo-5-phenylmethoxypentan-3-yl] acetate;3-hydroxy-N,N,2,2-tetramethyl-5-phenylmethoxypentanamide;(3S)-3-hydroxy-N,N,2,2-tetramethyl-5-phenylmethoxypentanamide
CID 161298114
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
(2R)-2-amino-4-phenylmethoxybutanoic acid
CID 51340689
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
tert-butyl N-(1-amino-1-oxo-4-phenylmethoxybutan-2-yl)carbamate
CID 85139690
methyl 2-chloro-4-phenylmethoxybutanoate
CID 121009270
methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate
CID 134539051
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
benzyl (3S)-3-hydroxy-2,2-dimethyl-4-oxopentanoate
CID 135011617

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide?
The IUPAC name of 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide (CID 142666314) is 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide is CC(C)(C(N)=O)C(O)CCOCc1ccccc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide?
The InChIKey is DGFYWNWALIODHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,13(15)17)12(16)8-9-18-10-11-6-4-3-5-7-11/h3-7,12,16H,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide?
3-hydroxy-2,2-dimethyl-5-phenylmethoxypentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.47, 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-dimethyl-5-phenylmethoxypentanamide is sourced from PubChem (CID 142666314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).