1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea

C20H26N2O3 — CID 3875444

IUPAC1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)COc1c(C)cccc1C
InChIInChI=1S/C20H26N2O3/c1-13-9-10-18(24-5)17(11-13)22-20(23)21-16(4)12-25-19-14(2)7-6-8-15(19)3/h6-11,16H,12H2,1-5H3,(H2,21,22,23)
InChIKeyGTBAZWQWOUXKPB-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.21
Rot. Bonds6

About 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea

1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 3875444) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID3875444
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)COc1c(C)cccc1C
InChIInChI=1S/C20H26N2O3/c1-13-9-10-18(24-5)17(11-13)22-20(23)21-16(4)12-25-19-14(2)7-6-8-15(19)3/h6-11,16H,12H2,1-5H3,(H2,21,22,23)
InChIKeyGTBAZWQWOUXKPB-UHFFFAOYSA-N
XLogP4.21
TPSA59.59 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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea
CID 3871734
1-(2-methoxy-6-methylphenyl)-3-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]urea
CID 125168159
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
1-(4-chloro-2,5-dimethoxyphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]thiourea
CID 3585682
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3820122
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 9099909
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea (CID 3875444) is 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NC(C)COc1c(C)cccc1C.
What is the InChIKey of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is GTBAZWQWOUXKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-9-10-18(24-5)17(11-13)22-20(23)21-16(4)12-25-19-14(2)7-6-8-15(19)3/h6-11,16H,12H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea?
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 342.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 3875444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).