1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea

C24H24N2O3 — CID 123891372

IUPAC1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea
SMILESCc1cccc(C(=O)c2ccc(CNC(=O)NCCc3ccc(O)cc3)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-17-3-2-4-21(15-17)23(28)20-9-5-19(6-10-20)16-26-24(29)25-14-13-18-7-11-22(27)12-8-18/h2-12,15,27H,13-14,16H2,1H3,(H2,25,26,29)
InChIKeyKSIPINYCYKIFGG-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.97
Rot. Bonds7

About 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea

1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea (PubChem CID 123891372) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea
PubChem CID123891372
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea
SMILESCc1cccc(C(=O)c2ccc(CNC(=O)NCCc3ccc(O)cc3)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-17-3-2-4-21(15-17)23(28)20-9-5-19(6-10-20)16-26-24(29)25-14-13-18-7-11-22(27)12-8-18/h2-12,15,27H,13-14,16H2,1H3,(H2,25,26,29)
InChIKeyKSIPINYCYKIFGG-UHFFFAOYSA-N
XLogP3.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
bis(3-methylphenyl)methanone
CID 17848
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110894145
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
[4-hydroxy-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 71390287

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea (CID 123891372) is 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea is Cc1cccc(C(=O)c2ccc(CNC(=O)NCCc3ccc(O)cc3)cc2)c1.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea?
The InChIKey is KSIPINYCYKIFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-3-2-4-21(15-17)23(28)20-9-5-19(6-10-20)16-26-24(29)25-14-13-18-7-11-22(27)12-8-18/h2-12,15,27H,13-14,16H2,1H3,(H2,25,26,29).
What are the key properties of 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea?
1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea has a molecular weight of 388.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)ethyl]-3-[[4-(3-methylbenzoyl)phenyl]methyl]urea is sourced from PubChem (CID 123891372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).