2-[1-(2-hydroxyphenyl)propylamino]propanamide

C12H18N2O2 — CID 43545377

IUPAC2-[1-(2-hydroxyphenyl)propylamino]propanamide
SMILESCCC(NC(C)C(N)=O)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-3-10(14-8(2)12(13)16)9-6-4-5-7-11(9)15/h4-8,10,14-15H,3H2,1-2H3,(H2,13,16)
InChIKeyGLPNHXWJAOXAEH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds5

About 2-[1-(2-hydroxyphenyl)propylamino]propanamide

2-[1-(2-hydroxyphenyl)propylamino]propanamide (PubChem CID 43545377) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[1-(2-hydroxyphenyl)propylamino]propanamide.

Molecular Properties

Compound Name2-[1-(2-hydroxyphenyl)propylamino]propanamide
PubChem CID43545377
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[1-(2-hydroxyphenyl)propylamino]propanamide
SMILESCCC(NC(C)C(N)=O)c1ccccc1O
InChIInChI=1S/C12H18N2O2/c1-3-10(14-8(2)12(13)16)9-6-4-5-7-11(9)15/h4-8,10,14-15H,3H2,1-2H3,(H2,13,16)
InChIKeyGLPNHXWJAOXAEH-UHFFFAOYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
2-[1-[[(1R)-1-(2-chlorophenyl)ethyl]amino]propyl]phenol
CID 81377530
2-(1-phenylbutylamino)propanamide
CID 43401102
2-[1-(1-methoxypropan-2-ylamino)propyl]phenol
CID 43191890
4-[1-(2-hydroxyphenyl)propylamino]benzamide
CID 43193016
2-[1-(heptan-2-ylamino)propyl]phenol
CID 43572696
2-[1-(pent-1-yn-3-ylamino)propyl]phenol
CID 106225526

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyphenyl)propylamino]propanamide?
The IUPAC name of 2-[1-(2-hydroxyphenyl)propylamino]propanamide (CID 43545377) is 2-[1-(2-hydroxyphenyl)propylamino]propanamide.
What is the SMILES notation for 2-[1-(2-hydroxyphenyl)propylamino]propanamide?
The canonical SMILES for 2-[1-(2-hydroxyphenyl)propylamino]propanamide is CCC(NC(C)C(N)=O)c1ccccc1O.
What is the InChIKey of 2-[1-(2-hydroxyphenyl)propylamino]propanamide?
The InChIKey is GLPNHXWJAOXAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-10(14-8(2)12(13)16)9-6-4-5-7-11(9)15/h4-8,10,14-15H,3H2,1-2H3,(H2,13,16).
What are the key properties of 2-[1-(2-hydroxyphenyl)propylamino]propanamide?
2-[1-(2-hydroxyphenyl)propylamino]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyphenyl)propylamino]propanamide is sourced from PubChem (CID 43545377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).