2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane

C19H25NO3 — CID 144787004

IUPAC2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane
SMILESCC.CC(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C17H19NO3.C2H6/c1-12(14-5-3-2-4-6-14)11-18-17(21)10-13-7-8-15(19)16(20)9-13;1-2/h2-9,12,19-20H,10-11H2,1H3,(H,18,21);1-2H3
InChIKeyFYCKFUJNQOTOQO-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.59
Rot. Bonds5

About 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane

2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane (PubChem CID 144787004) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane
PubChem CID144787004
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane
SMILESCC.CC(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1
InChIInChI=1S/C17H19NO3.C2H6/c1-12(14-5-3-2-4-6-14)11-18-17(21)10-13-7-8-15(19)16(20)9-13;1-2/h2-9,12,19-20H,10-11H2,1H3,(H,18,21);1-2H3
InChIKeyFYCKFUJNQOTOQO-UHFFFAOYSA-N
XLogP3.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydroxyphenyl)-N-(1-phenylethyl)acetamide
CID 113199018
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-[3-(4-amino-3-hydroxyphenyl)-2-(dimethylamino)propyl]-3-phenylbutanamide
CID 175526217
2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid
CID 54061697
4-fluoro-2-hydroxy-N-(2-phenylpropyl)benzamide
CID 103829491
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9427335
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane (CID 144787004) is 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane is CC.CC(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane?
The InChIKey is FYCKFUJNQOTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3.C2H6/c1-12(14-5-3-2-4-6-14)11-18-17(21)10-13-7-8-15(19)16(20)9-13;1-2/h2-9,12,19-20H,10-11H2,1H3,(H,18,21);1-2H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane?
2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane has a molecular weight of 315.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane is sourced from PubChem (CID 144787004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).