1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea

C19H24N2O3 — CID 111578950

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(2)24-17-10-8-16(9-11-17)21-19(23)20-13-12-18(22)15-6-4-3-5-7-15/h3-11,14,18,22H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyOBVBFBQDEZZJEF-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.72
Rot. Bonds7

About 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea

1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 111578950) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
PubChem CID111578950
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C19H24N2O3/c1-14(2)24-17-10-8-16(9-11-17)21-19(23)20-13-12-18(22)15-6-4-3-5-7-15/h3-11,14,18,22H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeyOBVBFBQDEZZJEF-UHFFFAOYSA-N
XLogP3.72
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
2-hydroxy-2-phenyl-N-(4-propan-2-yloxyphenyl)acetamide
CID 110896061
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea
CID 113213293
1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
CID 108988372
1-(2,4-dimethoxyphenyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 90499727
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 95157706
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111840718
3-methyl-4-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 81065816
3-[(4-propan-2-yloxyphenyl)carbamothioylamino]propanoic acid
CID 3008622
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
CID 121132989

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea (CID 111578950) is 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea is CC(C)Oc1ccc(NC(=O)NCCC(O)c2ccccc2)cc1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is OBVBFBQDEZZJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14(2)24-17-10-8-16(9-11-17)21-19(23)20-13-12-18(22)15-6-4-3-5-7-15/h3-11,14,18,22H,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea?
1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 111578950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).