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

C16H24N2O3 — CID 108914916

IUPAC1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESCOc1ccc(NC(=O)N/C=C(\C)C(C)(C)C)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11(16(2,3)4)10-17-15(19)18-12-7-8-13(20-5)14(9-12)21-6/h7-10H,1-6H3,(H2,17,18,19)/b11-10+
InChIKeyAYGRNFHWSQXZEM-ZHACJKMWSA-N
MW292.38 g/mol
LogP3.78
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108914916) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108914916
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESCOc1ccc(NC(=O)N/C=C(\C)C(C)(C)C)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11(16(2,3)4)10-17-15(19)18-12-7-8-13(20-5)14(9-12)21-6/h7-10H,1-6H3,(H2,17,18,19)/b11-10+
InChIKeyAYGRNFHWSQXZEM-ZHACJKMWSA-N
XLogP3.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915032
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866246
1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea
CID 108913424
N-(4-acetamidophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969664
1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914572
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
(3,4-dimethoxyphenyl)urea
CID 21197430
1-(3,4-dimethoxyphenyl)-3-(3-ethylpent-1-yn-3-yl)urea
CID 6470201
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
1-(3,4-dimethoxyphenyl)-3-prop-2-enylurea
CID 17277594

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108914916) is 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is COc1ccc(NC(=O)N/C=C(\C)C(C)(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is AYGRNFHWSQXZEM-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(16(2,3)4)10-17-15(19)18-12-7-8-13(20-5)14(9-12)21-6/h7-10H,1-6H3,(H2,17,18,19)/b11-10+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 292.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108914916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).