N-(3-hydroxy-3-phenylpropyl)acetamide

C11H15NO2 — CID 67579721

IUPACN-(3-hydroxy-3-phenylpropyl)acetamide
SMILESCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(13)12-8-7-11(14)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,12,13)
InChIKeyLNCULLHZZGMFOX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.25
Rot. Bonds4

About N-(3-hydroxy-3-phenylpropyl)acetamide

N-(3-hydroxy-3-phenylpropyl)acetamide (PubChem CID 67579721) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)acetamide
PubChem CID67579721
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-(3-hydroxy-3-phenylpropyl)acetamide
SMILESCC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(13)12-8-7-11(14)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,12,13)
InChIKeyLNCULLHZZGMFOX-UHFFFAOYSA-N
XLogP1.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079
N-[(3R)-3-hydroxy-3-phenylpropyl]prop-2-enamide
CID 166414439
2,2,2-trifluoro-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 76624652
N-[2-[[(3S)-3-phenylbutyl]carbamoylamino]ethyl]acetamide
CID 125145755
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
S-(2-acetamidoethyl) (3S)-3-hydroxy-3-phenylpropanethioate
CID 10967487
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)acetamide (CID 67579721) is N-(3-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)acetamide is CC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is LNCULLHZZGMFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(13)12-8-7-11(14)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,12,13).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)acetamide?
N-(3-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 193.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 67579721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).