3-[(2,4-dihydroxyphenyl)methylamino]propanamide

C10H14N2O3 — CID 43553298

IUPAC3-[(2,4-dihydroxyphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(O)cc1O
InChIInChI=1S/C10H14N2O3/c11-10(15)3-4-12-6-7-1-2-8(13)5-9(7)14/h1-2,5,12-14H,3-4,6H2,(H2,11,15)
InChIKeyYBXUAXIHFAKLNO-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.06
Rot. Bonds5

About 3-[(2,4-dihydroxyphenyl)methylamino]propanamide

3-[(2,4-dihydroxyphenyl)methylamino]propanamide (PubChem CID 43553298) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[(2,4-dihydroxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(2,4-dihydroxyphenyl)methylamino]propanamide
PubChem CID43553298
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[(2,4-dihydroxyphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(O)cc1O
InChIInChI=1S/C10H14N2O3/c11-10(15)3-4-12-6-7-1-2-8(13)5-9(7)14/h1-2,5,12-14H,3-4,6H2,(H2,11,15)
InChIKeyYBXUAXIHFAKLNO-UHFFFAOYSA-N
XLogP0.06
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[(2,4-dihydroxyphenyl)methylamino]ethylamino]methyl]benzene-1,3-diol
CID 138502169
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001
4-[(4,4,4-trifluorobutylamino)methyl]benzene-1,3-diol
CID 79039995
4-[(4-hydroxypentylamino)methyl]benzene-1,3-diol
CID 107267932
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]ethyl]carbamate
CID 103740181
4-[[(2-ethylphenyl)methylamino]methyl]benzene-1,3-diol
CID 64680284
4-[(5,5,5-trifluoropentylamino)methyl]benzene-1,3-diol
CID 113321749
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
CID 43553259
5-[(2,4-dihydroxyphenyl)methylamino]pentanenitrile
CID 115614389

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dihydroxyphenyl)methylamino]propanamide?
The IUPAC name of 3-[(2,4-dihydroxyphenyl)methylamino]propanamide (CID 43553298) is 3-[(2,4-dihydroxyphenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(2,4-dihydroxyphenyl)methylamino]propanamide?
The canonical SMILES for 3-[(2,4-dihydroxyphenyl)methylamino]propanamide is NC(=O)CCNCc1ccc(O)cc1O.
What is the InChIKey of 3-[(2,4-dihydroxyphenyl)methylamino]propanamide?
The InChIKey is YBXUAXIHFAKLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-10(15)3-4-12-6-7-1-2-8(13)5-9(7)14/h1-2,5,12-14H,3-4,6H2,(H2,11,15).
What are the key properties of 3-[(2,4-dihydroxyphenyl)methylamino]propanamide?
3-[(2,4-dihydroxyphenyl)methylamino]propanamide has a molecular weight of 210.23 g/mol, XLogP of 0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dihydroxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43553298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).