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

C13H20N2O2 — CID 111453218

IUPAC1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea
SMILESCc1cc(C)cc(CCNC(=O)NCCO)c1
InChIInChI=1S/C13H20N2O2/c1-10-7-11(2)9-12(8-10)3-4-14-13(17)15-5-6-16/h7-9,16H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyLWJHPWFJQZHBEY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.14
Rot. Bonds5

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

1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea (PubChem CID 111453218) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea
PubChem CID111453218
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea
SMILESCc1cc(C)cc(CCNC(=O)NCCO)c1
InChIInChI=1S/C13H20N2O2/c1-10-7-11(2)9-12(8-10)3-4-14-13(17)15-5-6-16/h7-9,16H,3-6H2,1-2H3,(H2,14,15,17)
InChIKeyLWJHPWFJQZHBEY-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dimethylphenyl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618982
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 52743823
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
1-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]-3-(3-hydroxypropyl)urea
CID 95968508
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47442422
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-ethyl-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 166986653
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506397
2-(3,5-dimethylphenyl)ethylhydrazine
CID 53402680
2-[3-(4-aminobutyl)-5-methylphenyl]ethylurea
CID 118527566
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
CID 110904066

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea (CID 111453218) is 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea is Cc1cc(C)cc(CCNC(=O)NCCO)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is LWJHPWFJQZHBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-7-11(2)9-12(8-10)3-4-14-13(17)15-5-6-16/h7-9,16H,3-6H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea?
1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 236.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenyl)ethyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 111453218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).