1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea

C19H24N2O3 — CID 110907958

IUPAC1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
SMILESCc1cccc(OCC(O)CNC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H24N2O3/c1-13-6-4-8-17(10-13)24-12-16(22)11-20-19(23)21-18-9-5-7-14(2)15(18)3/h4-10,16,22H,11-12H2,1-3H3,(H2,20,21,23)
InChIKeyYEUHDIWKOXMJCG-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.17
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea

1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea (PubChem CID 110907958) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
PubChem CID110907958
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
SMILESCc1cccc(OCC(O)CNC(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C19H24N2O3/c1-13-6-4-8-17(10-13)24-12-16(22)11-20-19(23)21-18-9-5-7-14(2)15(18)3/h4-10,16,22H,11-12H2,1-3H3,(H2,20,21,23)
InChIKeyYEUHDIWKOXMJCG-UHFFFAOYSA-N
XLogP3.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110931993
1-(4-fluorophenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904652
1-benzyl-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea
CID 110904579
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
3-[[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]carbamoylamino]-2-methylbenzamide
CID 97456251
1-(2,5-dimethylphenyl)-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]urea
CID 110903857
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
2-(2-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]propanamide
CID 111110453
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
2-(4-chlorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]acetamide
CID 110904498
1-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94031147

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea (CID 110907958) is 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea is Cc1cccc(OCC(O)CNC(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
The InChIKey is YEUHDIWKOXMJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-6-4-8-17(10-13)24-12-16(22)11-20-19(23)21-18-9-5-7-14(2)15(18)3/h4-10,16,22H,11-12H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea?
1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-[2-hydroxy-3-(3-methylphenoxy)propyl]urea is sourced from PubChem (CID 110907958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).