2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide

C12H18N2O3 — CID 106170771

IUPAC2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide
SMILESCC(Cc1ccc(O)cc1)NCC(O)C(N)=O
InChIInChI=1S/C12H18N2O3/c1-8(14-7-11(16)12(13)17)6-9-2-4-10(15)5-3-9/h2-5,8,11,14-16H,6-7H2,1H3,(H2,13,17)
InChIKeyUAELNBOCZHRKAC-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.24
Rot. Bonds6

About 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide

2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide (PubChem CID 106170771) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide
PubChem CID106170771
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide
SMILESCC(Cc1ccc(O)cc1)NCC(O)C(N)=O
InChIInChI=1S/C12H18N2O3/c1-8(14-7-11(16)12(13)17)6-9-2-4-10(15)5-3-9/h2-5,8,11,14-16H,6-7H2,1H3,(H2,13,17)
InChIKeyUAELNBOCZHRKAC-UHFFFAOYSA-N
XLogP-0.24
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methylbutylamino)propyl]phenol
CID 115493888
[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate
CID 67530908
2-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]propanamide
CID 103250419
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
CID 90002784
4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol
CID 165341747
1-(3,5-dihydroxyphenyl)-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethanone;hydrobromide
CID 3014195
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
CID 115494377
4-[2-[(3-hydroxy-4-methoxybutyl)amino]propyl]phenol
CID 106245098

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide (CID 106170771) is 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide is CC(Cc1ccc(O)cc1)NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide?
The InChIKey is UAELNBOCZHRKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(14-7-11(16)12(13)17)6-9-2-4-10(15)5-3-9/h2-5,8,11,14-16H,6-7H2,1H3,(H2,13,17).
What are the key properties of 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide?
2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide has a molecular weight of 238.29 g/mol, XLogP of -0.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide is sourced from PubChem (CID 106170771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).