1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea

C21H28N2O3 — CID 3518744

IUPAC1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCOc1cccc(CCNC(=O)Nc2c(C)cccc2C(C)C)c1OC
InChIInChI=1S/C21H28N2O3/c1-14(2)17-10-6-8-15(3)19(17)23-21(24)22-13-12-16-9-7-11-18(25-4)20(16)26-5/h6-11,14H,12-13H2,1-5H3,(H2,22,23,24)
InChIKeyGLYHJBAPSSZSGL-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.50
Rot. Bonds7

About 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea

1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea (PubChem CID 3518744) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
PubChem CID3518744
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
SMILESCOc1cccc(CCNC(=O)Nc2c(C)cccc2C(C)C)c1OC
InChIInChI=1S/C21H28N2O3/c1-14(2)17-10-6-8-15(3)19(17)23-21(24)22-13-12-16-9-7-11-18(25-4)20(16)26-5/h6-11,14H,12-13H2,1-5H3,(H2,22,23,24)
InChIKeyGLYHJBAPSSZSGL-UHFFFAOYSA-N
XLogP4.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112975528
3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 28510886
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2-(2,3-dimethoxyphenyl)ethyl]-3-naphthalen-2-ylurea
CID 3721169
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
1-(2-methyl-6-propan-2-ylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817685
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 112997414
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2337018
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 113217395
2-methoxy-3-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 106109616

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea (CID 3518744) is 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea is COc1cccc(CCNC(=O)Nc2c(C)cccc2C(C)C)c1OC.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
The InChIKey is GLYHJBAPSSZSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(2)17-10-6-8-15(3)19(17)23-21(24)22-13-12-16-9-7-11-18(25-4)20(16)26-5/h6-11,14H,12-13H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea?
1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea has a molecular weight of 356.47 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea is sourced from PubChem (CID 3518744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).