1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

C20H26N2O3 — CID 111115244

IUPAC1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(O)CNC(=O)NC(C)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H26N2O3/c1-13-8-14(2)10-17(9-13)15(3)22-20(24)21-12-19(23)16-6-5-7-18(11-16)25-4/h5-11,15,19,23H,12H2,1-4H3,(H2,21,22,24)
InChIKeyNLDRGPJKCXDXCX-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.41
Rot. Bonds6

About 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (PubChem CID 111115244) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
PubChem CID111115244
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(O)CNC(=O)NC(C)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H26N2O3/c1-13-8-14(2)10-17(9-13)15(3)22-20(24)21-12-19(23)16-6-5-7-18(11-16)25-4/h5-11,15,19,23H,12H2,1-4H3,(H2,21,22,24)
InChIKeyNLDRGPJKCXDXCX-UHFFFAOYSA-N
XLogP3.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
CID 111115159
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
1-[1-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441038
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 111483054
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (CID 111115244) is 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is COc1cccc(C(O)CNC(=O)NC(C)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is NLDRGPJKCXDXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-8-14(2)10-17(9-13)15(3)22-20(24)21-12-19(23)16-6-5-7-18(11-16)25-4/h5-11,15,19,23H,12H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)ethyl]-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 111115244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).