1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea

C15H22N2O2 — CID 108911310

IUPAC1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)N/C=C/C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)9-10-16-14(18)17-11-12-5-7-13(19-4)8-6-12/h5-10H,11H2,1-4H3,(H2,16,17,18)/b10-9+
InChIKeyLOPJVSJRICSDCZ-MDZDMXLPSA-N
MW262.35 g/mol
LogP3.05
Rot. Bonds4

About 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea

1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108911310) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108911310
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)N/C=C/C(C)(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)9-10-16-14(18)17-11-12-5-7-13(19-4)8-6-12/h5-10H,11H2,1-4H3,(H2,16,17,18)/b10-9+
InChIKeyLOPJVSJRICSDCZ-MDZDMXLPSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
(E)-N-[(4-methoxyphenyl)methyl]-4,4-dimethylpent-2-enamide
CID 127126119
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
3-[(4-methoxyphenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108868165
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea (CID 108911310) is 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)N/C=C/C(C)(C)C)cc1.
What is the InChIKey of 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is LOPJVSJRICSDCZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)9-10-16-14(18)17-11-12-5-7-13(19-4)8-6-12/h5-10H,11H2,1-4H3,(H2,16,17,18)/b10-9+.
What are the key properties of 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 262.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108911310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).