3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide

C24H28N4O5 — CID 143821830

IUPAC3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1O)Nc1ccc(-c2cn[nH]c2)cc1OCCN1CCOCC1
InChIInChI=1S/C24H28N4O5/c29-21-3-1-2-4-22(21)32-11-7-24(30)27-20-6-5-18(19-16-25-26-17-19)15-23(20)33-14-10-28-8-12-31-13-9-28/h1-6,15-17,29H,7-14H2,(H,25,26)(H,27,30)
InChIKeyOMXSTQUPQHRLJK-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.90
Rot. Bonds10

About 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide

3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide (PubChem CID 143821830) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide
PubChem CID143821830
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1O)Nc1ccc(-c2cn[nH]c2)cc1OCCN1CCOCC1
InChIInChI=1S/C24H28N4O5/c29-21-3-1-2-4-22(21)32-11-7-24(30)27-20-6-5-18(19-16-25-26-17-19)15-23(20)33-14-10-28-8-12-31-13-9-28/h1-6,15-17,29H,7-14H2,(H,25,26)(H,27,30)
InChIKeyOMXSTQUPQHRLJK-UHFFFAOYSA-N
XLogP2.90
TPSA108.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68565165
1-[(3-fluorophenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]urea;bis(2,2,2-trifluoroacetic acid)
CID 117076875
(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]carbamate;bis(2,2,2-trifluoroacetic acid)
CID 117076892
N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2-phenylacetamide
CID 90385244
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)benzamide
CID 68758637
1-(3-hydroxy-1-phenylpropyl)-3-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]urea;bis(2,2,2-trifluoroacetic acid)
CID 117077222
(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68563412
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
1-[(3-methoxyphenyl)methyl]-3-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-morpholin-4-ylethoxy)phenyl]urea
CID 45380560

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide (CID 143821830) is 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide is O=C(CCOc1ccccc1O)Nc1ccc(-c2cn[nH]c2)cc1OCCN1CCOCC1.
What is the InChIKey of 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide?
The InChIKey is OMXSTQUPQHRLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c29-21-3-1-2-4-22(21)32-11-7-24(30)27-20-6-5-18(19-16-25-26-17-19)15-23(20)33-14-10-28-8-12-31-13-9-28/h1-6,15-17,29H,7-14H2,(H,25,26)(H,27,30).
What are the key properties of 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide?
3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide has a molecular weight of 452.51 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenoxy)-N-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 143821830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).