N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide

C23H26N4O4 — CID 56678081

IUPACN-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide
SMILESO=C(Cc1cnccn1)Nc1ccc(CCNCC(O)COc2ccc(O)cc2)cc1
InChIInChI=1S/C23H26N4O4/c28-20-5-7-22(8-6-20)31-16-21(29)15-24-10-9-17-1-3-18(4-2-17)27-23(30)13-19-14-25-11-12-26-19/h1-8,11-12,14,21,24,28-29H,9-10,13,15-16H2,(H,27,30)
InChIKeyXIOPYQYZZSGQJH-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.94
Rot. Bonds11

About N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide

N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide (PubChem CID 56678081) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide
PubChem CID56678081
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide
SMILESO=C(Cc1cnccn1)Nc1ccc(CCNCC(O)COc2ccc(O)cc2)cc1
InChIInChI=1S/C23H26N4O4/c28-20-5-7-22(8-6-20)31-16-21(29)15-24-10-9-17-1-3-18(4-2-17)27-23(30)13-19-14-25-11-12-26-19/h1-8,11-12,14,21,24,28-29H,9-10,13,15-16H2,(H,27,30)
InChIKeyXIOPYQYZZSGQJH-UHFFFAOYSA-N
XLogP1.94
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol;oxalic acid
CID 12541330
4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]phenol
CID 12541329
2-[2-(benzylamino)-1,3-thiazol-4-yl]-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 57386357
N-[4-[(2S)-2-hydroxy-3-[2-(4-hydroxyphenyl)ethylamino]propoxy]phenyl]methanesulfonamide
CID 25107693
1-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-3-phenylurea;hydrochloride
CID 52949022
2-[2-(3-cyanoanilino)-1,3-thiazol-4-yl]-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]acetamide
CID 15895767
2-[2-(3-cyanoanilino)-1,3-thiazol-4-yl]-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 142676003
2-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenoxy]acetic acid
CID 15714008
[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenoxy]methyl-phenylphosphinic acid
CID 67683432
N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]quinoline-8-sulfonamide
CID 19385017
2-[[4-[[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfamoyl]phenyl]carbamoyl]pentanoic acid
CID 19385003
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-phenylethylamino)propoxy]phenoxy]-3-(2-phenylethylamino)propan-2-ol
CID 41066855

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide?
The IUPAC name of N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide (CID 56678081) is N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide.
What is the SMILES notation for N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide?
The canonical SMILES for N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide is O=C(Cc1cnccn1)Nc1ccc(CCNCC(O)COc2ccc(O)cc2)cc1.
What is the InChIKey of N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide?
The InChIKey is XIOPYQYZZSGQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-20-5-7-22(8-6-20)31-16-21(29)15-24-10-9-17-1-3-18(4-2-17)27-23(30)13-19-14-25-11-12-26-19/h1-8,11-12,14,21,24,28-29H,9-10,13,15-16H2,(H,27,30).
What are the key properties of N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide?
N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide has a molecular weight of 422.49 g/mol, XLogP of 1.94, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyrazin-2-ylacetamide is sourced from PubChem (CID 56678081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).