1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C17H18N2O3 — CID 108874418

IUPAC1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-5-7-13(8-6-12)16(21)9-10-18-17(22)19-14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H2,18,19,22)
InChIKeyRGCCFNIKJGKOAH-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.10
Rot. Bonds5

About 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874418) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874418
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)Nc2cccc(O)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-5-7-13(8-6-12)16(21)9-10-18-17(22)19-14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H2,18,19,22)
InChIKeyRGCCFNIKJGKOAH-UHFFFAOYSA-N
XLogP3.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874691
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874416
1-(3-hydroxyphenyl)-3-(3-oxobutyl)urea
CID 108894947
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874536
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 71353515
1-[3-(4-methylphenyl)-3-oxopropyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108874433
1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874436
1-(4-chloro-3-nitrophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874513
1-(5-chloro-2-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874556
tert-butyl N-[3-[3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]anilino]-3-oxopropyl]carbamate
CID 108920034

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874418) is 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)Nc2cccc(O)c2)cc1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is RGCCFNIKJGKOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-5-7-13(8-6-12)16(21)9-10-18-17(22)19-14-3-2-4-15(20)11-14/h2-8,11,20H,9-10H2,1H3,(H2,18,19,22).
What are the key properties of 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 298.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).