3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea

C20H26N2O3 — CID 97250367

IUPAC3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc([C@@H](CO)N(C)C(=O)NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H26N2O3/c1-14-5-6-17(15(2)11-14)12-21-20(24)22(3)19(13-23)16-7-9-18(25-4)10-8-16/h5-11,19,23H,12-13H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyUCTXSOYMGNWMGP-LJQANCHMSA-N
MW342.44 g/mol
LogP3.19
Rot. Bonds6

About 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea

3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 97250367) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
PubChem CID97250367
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc([C@@H](CO)N(C)C(=O)NCc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H26N2O3/c1-14-5-6-17(15(2)11-14)12-21-20(24)22(3)19(13-23)16-7-9-18(25-4)10-8-16/h5-11,19,23H,12-13H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyUCTXSOYMGNWMGP-LJQANCHMSA-N
XLogP3.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122932
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325
3-butyl-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 97027616
1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methyl-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 84594741
2-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylcarbamoyl]amino]-N-methoxyacetamide
CID 167860284
3-(3-chloro-4-methylphenyl)-1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 111122927
3-(3,5-difluorophenyl)-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea
CID 96542792
3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 110889436
1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 46577510
(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939174
N-[(2,4-dimethylphenyl)methyl]-2-hydroxyacetamide
CID 82125722
1-[(2,4-dimethylphenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110901359

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea (CID 97250367) is 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea is COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccc(C)cc2C)cc1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is UCTXSOYMGNWMGP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-5-6-17(15(2)11-14)12-21-20(24)22(3)19(13-23)16-7-9-18(25-4)10-8-16/h5-11,19,23H,12-13H2,1-4H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea?
3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 342.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methyl]-1-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 97250367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).