5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide

C13H20N2O3 — CID 106234521

IUPAC5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
SMILESCC(NCCCCC(N)=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H20N2O3/c1-9(15-5-3-2-4-13(14)18)10-6-11(16)8-12(17)7-10/h6-9,15-17H,2-5H2,1H3,(H2,14,18)
InChIKeyWZNCMBJYCPVFFV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.40
Rot. Bonds7

About 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide

5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide (PubChem CID 106234521) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide.

Molecular Properties

Compound Name5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
PubChem CID106234521
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
SMILESCC(NCCCCC(N)=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H20N2O3/c1-9(15-5-3-2-4-13(14)18)10-6-11(16)8-12(17)7-10/h6-9,15-17H,2-5H2,1H3,(H2,14,18)
InChIKeyWZNCMBJYCPVFFV-UHFFFAOYSA-N
XLogP1.40
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
5-[1-(4-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 114146378
5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
CID 103529821
5-[1-(2,4-dihydroxyphenyl)ethylamino]pentanamide
CID 106234212
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
CID 107707175
N-cyclopropyl-4-[1-(3,5-dihydroxyphenyl)ethylamino]butanamide
CID 107706794
5-[1-(3-bromo-4-methoxyphenyl)ethylamino]pentanamide
CID 103529781
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457
5-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]benzene-1,3-diol
CID 106040787
5-[1-(2-methylsulfanylethylamino)ethyl]benzene-1,3-diol
CID 107706581

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide?
The IUPAC name of 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide (CID 106234521) is 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide.
What is the SMILES notation for 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide?
The canonical SMILES for 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide is CC(NCCCCC(N)=O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide?
The InChIKey is WZNCMBJYCPVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(15-5-3-2-4-13(14)18)10-6-11(16)8-12(17)7-10/h6-9,15-17H,2-5H2,1H3,(H2,14,18).
What are the key properties of 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide?
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide has a molecular weight of 252.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide is sourced from PubChem (CID 106234521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).