N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide

C14H21NO3 — CID 123756528

IUPACN-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide
SMILESCC(=O)NC(C)C(O)C(C)OCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-10(15-12(3)16)14(17)11(2)18-9-13-7-5-4-6-8-13/h4-8,10-11,14,17H,9H2,1-3H3,(H,15,16)
InChIKeyMPMCGERIQBRHOM-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.48
Rot. Bonds6

About N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide

N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide (PubChem CID 123756528) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide
PubChem CID123756528
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide
SMILESCC(=O)NC(C)C(O)C(C)OCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-10(15-12(3)16)14(17)11(2)18-9-13-7-5-4-6-8-13/h4-8,10-11,14,17H,9H2,1-3H3,(H,15,16)
InChIKeyMPMCGERIQBRHOM-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
N-[(2R,3R,4S,5R)-5-hydroxy-1-oxo-3,4-bis(phenylmethoxy)hexan-2-yl]acetamide
CID 18610472
methyl (3S,4R)-3-hydroxy-4-phenylmethoxypentanoate
CID 22215013
2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine
CID 170755656
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
fluorobenzene;2-methyl-4-phenylmethoxypentan-3-ol
CID 142400351
6-phenylmethoxyheptane-1,2,3,4,5-pentol
CID 174419324
S-tert-butyl (2S,3S,4S)-3-hydroxy-2-methyl-4-phenylmethoxypentanethioate
CID 13460109
(2R,4S)-2,3-dimethyl-4-phenylmethoxypentanoic acid
CID 134864943
(2S,4S,5S)-5-hydroxy-4,6-dimethyl-2-phenylmethoxyheptan-3-one
CID 101232046
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide?
The IUPAC name of N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide (CID 123756528) is N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide is CC(=O)NC(C)C(O)C(C)OCc1ccccc1.
What is the InChIKey of N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide?
The InChIKey is MPMCGERIQBRHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15-12(3)16)14(17)11(2)18-9-13-7-5-4-6-8-13/h4-8,10-11,14,17H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide?
N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-phenylmethoxypentan-2-yl)acetamide is sourced from PubChem (CID 123756528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).