1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea

C16H24ClN3O3 — CID 44582226

IUPAC1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)C(=O)N(CCN1CCOCC1)Cc1cc(Cl)ccc1O
InChIInChI=1S/C16H24ClN3O3/c1-18(2)16(22)20(6-5-19-7-9-23-10-8-19)12-13-11-14(17)3-4-15(13)21/h3-4,11,21H,5-10,12H2,1-2H3
InChIKeyQLDXCFVFCVQFEG-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.86
Rot. Bonds5

About 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea

1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea (PubChem CID 44582226) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
PubChem CID44582226
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCN(C)C(=O)N(CCN1CCOCC1)Cc1cc(Cl)ccc1O
InChIInChI=1S/C16H24ClN3O3/c1-18(2)16(22)20(6-5-19-7-9-23-10-8-19)12-13-11-14(17)3-4-15(13)21/h3-4,11,21H,5-10,12H2,1-2H3
InChIKeyQLDXCFVFCVQFEG-UHFFFAOYSA-N
XLogP1.86
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Benzylpiperazin-1-yl)methyl]-4-chlorophenol
CID 783699
4-Chloro-2-[1-(4-morpholinyl)-3-phenyl-2-propyn-1-yl]phenol
CID 2865666
4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol
CID 381409
1-[(5-Chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(3-morpholin-4-ylpropyl)urea
CID 44582227
1-[(4-Hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 44582229
8-[(5-Chloro-2-hydroxyphenyl)methyl]-1,3-diethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 122185383
Ethyl 4-[(5-chloro-2-hydroxyphenyl)methyl-(dimethylcarbamoyl)amino]piperidine-1-carboxylate
CID 44582228
[1-(5-Chloro-2-hydroxybenzyl)piperidin-4-yl](4-ethylpiperazin-1-yl)methanone
CID 1096586
4-Chloro-2-{[3-(2-hydroxyethyl)-4-isobutyl-1-piperazinyl]methyl}phenol
CID 45245944
1-[3-(5-Chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 118726166
4-Chloro-2-(morpholin-4-ylmethyl)phenol
CID 225455
4,4'-Dichloro-2,2'-(piperazine-1,4-diyldimethylene)diphenol
CID 354816

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea (CID 44582226) is 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea is CN(C)C(=O)N(CCN1CCOCC1)Cc1cc(Cl)ccc1O.
What is the InChIKey of 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is QLDXCFVFCVQFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-18(2)16(22)20(6-5-19-7-9-23-10-8-19)12-13-11-14(17)3-4-15(13)21/h3-4,11,21H,5-10,12H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 341.84 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-hydroxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 44582226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).