1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea

C23H25N3O3 — CID 86947726

IUPAC1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)NC(C)CCc3ccc(O)cc3)cc2)nc1
InChIInChI=1S/C23H25N3O3/c1-16-3-14-22(24-15-16)29-21-12-8-19(9-13-21)26-23(28)25-17(2)4-5-18-6-10-20(27)11-7-18/h3,6-15,17,27H,4-5H2,1-2H3,(H2,25,26,28)
InChIKeyPGKPJRXXPDAALX-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.03
Rot. Bonds7

About 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea

1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea (PubChem CID 86947726) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
PubChem CID86947726
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
SMILESCc1ccc(Oc2ccc(NC(=O)NC(C)CCc3ccc(O)cc3)cc2)nc1
InChIInChI=1S/C23H25N3O3/c1-16-3-14-22(24-15-16)29-21-12-8-19(9-13-21)26-23(28)25-17(2)4-5-18-6-10-20(27)11-7-18/h3,6-15,17,27H,4-5H2,1-2H3,(H2,25,26,28)
InChIKeyPGKPJRXXPDAALX-UHFFFAOYSA-N
XLogP5.03
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea with MolForge

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Related Compounds

1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
CID 55698400
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide
CID 67071747
1-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 51945508
2-[4-[[(2R)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132885
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 97255743
1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 75440822
1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 86947728
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The IUPAC name of 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea (CID 86947726) is 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea.
What is the SMILES notation for 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The canonical SMILES for 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea is Cc1ccc(Oc2ccc(NC(=O)NC(C)CCc3ccc(O)cc3)cc2)nc1.
What is the InChIKey of 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
The InChIKey is PGKPJRXXPDAALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-3-14-22(24-15-16)29-21-12-8-19(9-13-21)26-23(28)25-17(2)4-5-18-6-10-20(27)11-7-18/h3,6-15,17,27H,4-5H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea?
1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea has a molecular weight of 391.47 g/mol, XLogP of 5.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxyphenyl)butan-2-yl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea is sourced from PubChem (CID 86947726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).