1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea

C16H24N2O — CID 108911414

IUPAC1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-5-18(13-14-9-7-6-8-10-14)15(19)17-12-11-16(2,3)4/h6-12H,5,13H2,1-4H3,(H,17,19)/b12-11+
InChIKeyKVLJBNVUXDGRHW-VAWYXSNFSA-N
MW260.38 g/mol
LogP3.78
Rot. Bonds4

About 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea

1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea (PubChem CID 108911414) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea.

Molecular Properties

Compound Name1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea
PubChem CID108911414
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C16H24N2O/c1-5-18(13-14-9-7-6-8-10-14)15(19)17-12-11-16(2,3)4/h6-12H,5,13H2,1-4H3,(H,17,19)/b12-11+
InChIKeyKVLJBNVUXDGRHW-VAWYXSNFSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-phenylurea
CID 108911461
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea
CID 108905100
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087
1-benzyl-1-ethyl-3-[(2-fluorophenyl)methyl]urea
CID 38945345
1-benzyl-1,3-diethyl-3-sulfanylurea
CID 88794196
4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297707
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea?
The IUPAC name of 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea (CID 108911414) is 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea.
What is the SMILES notation for 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea?
The canonical SMILES for 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea is CCN(Cc1ccccc1)C(=O)N/C=C/C(C)(C)C.
What is the InChIKey of 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea?
The InChIKey is KVLJBNVUXDGRHW-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-18(13-14-9-7-6-8-10-14)15(19)17-12-11-16(2,3)4/h6-12H,5,13H2,1-4H3,(H,17,19)/b12-11+.
What are the key properties of 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea?
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea has a molecular weight of 260.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea is sourced from PubChem (CID 108911414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).