2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide

C19H20N2O3 — CID 111471793

IUPAC2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESN#CCOc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c20-11-13-24-17-8-6-15(7-9-17)14-19(23)21-12-10-18(22)16-4-2-1-3-5-16/h1-9,18,22H,10,12-14H2,(H,21,23)
InChIKeyMVJONHKCIBOLMG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.37
Rot. Bonds8

About 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide

2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide (PubChem CID 111471793) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide
PubChem CID111471793
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide
SMILESN#CCOc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c20-11-13-24-17-8-6-15(7-9-17)14-19(23)21-12-10-18(22)16-4-2-1-3-5-16/h1-9,18,22H,10,12-14H2,(H,21,23)
InChIKeyMVJONHKCIBOLMG-UHFFFAOYSA-N
XLogP2.37
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
CID 71689998
2-(3-hydroxyphenyl)-N-[(3S)-3-hydroxy-3-phenylpropyl]acetamide
CID 97014799
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 110665744
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
2-[4-(cyanomethoxy)phenyl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111485845
N-(3-hydroxy-3-phenylpropyl)-3-prop-2-ynoxypropanamide
CID 109476501
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile
CID 63182209

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide?
The IUPAC name of 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide (CID 111471793) is 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide?
The canonical SMILES for 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide is N#CCOc1ccc(CC(=O)NCCC(O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide?
The InChIKey is MVJONHKCIBOLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c20-11-13-24-17-8-6-15(7-9-17)14-19(23)21-12-10-18(22)16-4-2-1-3-5-16/h1-9,18,22H,10,12-14H2,(H,21,23).
What are the key properties of 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide?
2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethoxy)phenyl]-N-(3-hydroxy-3-phenylpropyl)acetamide is sourced from PubChem (CID 111471793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).