1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea

C20H26N2O4 — CID 87007221

IUPAC1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea
SMILESCC(C)COCC(O)CNC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4/c1-15(2)13-25-14-17(23)12-21-20(24)22-16-8-10-19(11-9-16)26-18-6-4-3-5-7-18/h3-11,15,17,23H,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyLQAHYZPSUZFFHB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.63
Rot. Bonds9

About 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea

1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea (PubChem CID 87007221) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea
PubChem CID87007221
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea
SMILESCC(C)COCC(O)CNC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4/c1-15(2)13-25-14-17(23)12-21-20(24)22-16-8-10-19(11-9-16)26-18-6-4-3-5-7-18/h3-11,15,17,23H,12-14H2,1-2H3,(H2,21,22,24)
InChIKeyLQAHYZPSUZFFHB-UHFFFAOYSA-N
XLogP3.63
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(2-iodophenyl)urea
CID 87007219
1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111103722
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-phenylprop-2-ynamide
CID 75386334
1-(1-ethylindol-6-yl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111474953
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
1-(4-butan-2-yloxyphenyl)-3-(2-hydroxypentyl)urea
CID 111474234
N-[3-[(1R)-1-[[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]carbamoylamino]ethyl]phenyl]acetamide
CID 94060411
[(2R)-2-(4-phenoxyphenoxy)propyl] acetate
CID 10589281
methyl (2S)-2-[(4-phenoxyphenyl)carbamoylamino]propanoate
CID 5389782

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea (CID 87007221) is 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea is CC(C)COCC(O)CNC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is LQAHYZPSUZFFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-15(2)13-25-14-17(23)12-21-20(24)22-16-8-10-19(11-9-16)26-18-6-4-3-5-7-18/h3-11,15,17,23H,12-14H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea?
1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 358.44 g/mol, XLogP of 3.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 87007221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).