2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide

C11H16N2O3 — CID 107705454

IUPAC2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide
SMILESCC(NC(C)c1cc(O)cc(O)c1)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-6(13-7(2)11(12)16)8-3-9(14)5-10(15)4-8/h3-7,13-15H,1-2H3,(H2,12,16)
InChIKeyKMHNSMKOFNYVFT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.62
Rot. Bonds4

About 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide

2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide (PubChem CID 107705454) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide
PubChem CID107705454
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide
SMILESCC(NC(C)c1cc(O)cc(O)c1)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-6(13-7(2)11(12)16)8-3-9(14)5-10(15)4-8/h3-7,13-15H,1-2H3,(H2,12,16)
InChIKeyKMHNSMKOFNYVFT-UHFFFAOYSA-N
XLogP0.62
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanoate
CID 107706335
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
CID 43545300
2-[1-[4-(dimethylamino)phenyl]ethylamino]propanamide
CID 43777083
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide
CID 43545402
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide
CID 82993586
2-[1-(2,6-dihydroxyphenyl)ethylamino]propanamide
CID 107710565
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
5-[1-(3,5-dihydroxyphenyl)ethylamino]pentanamide
CID 106234521

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide?
The IUPAC name of 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide (CID 107705454) is 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide is CC(NC(C)c1cc(O)cc(O)c1)C(N)=O.
What is the InChIKey of 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide?
The InChIKey is KMHNSMKOFNYVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(13-7(2)11(12)16)8-3-9(14)5-10(15)4-8/h3-7,13-15H,1-2H3,(H2,12,16).
What are the key properties of 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide?
2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide has a molecular weight of 224.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanamide is sourced from PubChem (CID 107705454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).