1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea

C20H25ClN2O3 — CID 51944969

IUPAC1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](O)c1ccccc1OC
InChIInChI=1S/C20H25ClN2O3/c1-4-13-10-11-16(21)14(5-2)19(13)23-20(25)22-12-17(24)15-8-6-7-9-18(15)26-3/h6-11,17,24H,4-5,12H2,1-3H3,(H2,22,23,25)/t17-/m1/s1
InChIKeyUATUSVOEUOIFNJ-QGZVFWFLSA-N
MW376.88 g/mol
LogP4.33
Rot. Bonds7

About 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea

1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea (PubChem CID 51944969) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
PubChem CID51944969
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](O)c1ccccc1OC
InChIInChI=1S/C20H25ClN2O3/c1-4-13-10-11-16(21)14(5-2)19(13)23-20(25)22-12-17(24)15-8-6-7-9-18(15)26-3/h6-11,17,24H,4-5,12H2,1-3H3,(H2,22,23,25)/t17-/m1/s1
InChIKeyUATUSVOEUOIFNJ-QGZVFWFLSA-N
XLogP4.33
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
N-(3-chloro-2,6-diethylphenyl)-3,4,5-trimethoxybenzamide
CID 26198599
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylphenoxy)phenyl]urea
CID 112824759
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 46445537
(E)-N-(3-chloro-2,6-diethylphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 8920524
1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
CID 108867914
1-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 47033484
1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 38283759
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
2-amino-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]pentanamide
CID 119293185

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea (CID 51944969) is 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea is CCc1ccc(Cl)c(CC)c1NC(=O)NC[C@@H](O)c1ccccc1OC.
What is the InChIKey of 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is UATUSVOEUOIFNJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-4-13-10-11-16(21)14(5-2)19(13)23-20(25)22-12-17(24)15-8-6-7-9-18(15)26-3/h6-11,17,24H,4-5,12H2,1-3H3,(H2,22,23,25)/t17-/m1/s1.
What are the key properties of 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea?
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 376.88 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 51944969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).