1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea

C14H20N2O3 — CID 108911046

IUPAC1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCOc1ccc(NC(=O)N/C=C/C(C)C)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-10(2)7-8-15-14(17)16-12-6-5-11(18-3)9-13(12)19-4/h5-10H,1-4H3,(H2,15,16,17)/b8-7+
InChIKeyGSXFIJKKMQOMJZ-BQYQJAHWSA-N
MW264.32 g/mol
LogP2.99
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea

1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108911046) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108911046
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCOc1ccc(NC(=O)N/C=C/C(C)C)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-10(2)7-8-15-14(17)16-12-6-5-11(18-3)9-13(12)19-4/h5-10H,1-4H3,(H2,15,16,17)/b8-7+
InChIKeyGSXFIJKKMQOMJZ-BQYQJAHWSA-N
XLogP2.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991641
1-(2,4-dimethoxyphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913229
N-(2,4-dimethoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195727
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea (CID 108911046) is 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea is COc1ccc(NC(=O)N/C=C/C(C)C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is GSXFIJKKMQOMJZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)7-8-15-14(17)16-12-6-5-11(18-3)9-13(12)19-4/h5-10H,1-4H3,(H2,15,16,17)/b8-7+.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 264.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108911046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).