1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea

C17H26N2O — CID 108911333

IUPAC1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCCc1cccc(CC)c1NC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C17H26N2O/c1-6-13-9-8-10-14(7-2)15(13)19-16(20)18-12-11-17(3,4)5/h8-12H,6-7H2,1-5H3,(H2,18,19,20)/b12-11+
InChIKeyBPDJZOZNNOLKTQ-VAWYXSNFSA-N
MW274.41 g/mol
LogP4.49
Rot. Bonds4

About 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea

1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea (PubChem CID 108911333) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
PubChem CID108911333
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCCc1cccc(CC)c1NC(=O)N/C=C/C(C)(C)C
InChIInChI=1S/C17H26N2O/c1-6-13-9-8-10-14(7-2)15(13)19-16(20)18-12-11-17(3,4)5/h8-12H,6-7H2,1-5H3,(H2,18,19,20)/b12-11+
InChIKeyBPDJZOZNNOLKTQ-VAWYXSNFSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911530
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-1-ylurea
CID 108911459
1-(2,6-diethylphenyl)-3-[(Z)-(dimethylhydrazinylidene)methyl]urea;hydrochloride
CID 138400960
3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701407
1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108911582
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
CID 112997331
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906142
2,6-diethyl-N-prop-2-enylaniline
CID 62328023
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
N-(2,6-diethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 80723226
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea (CID 108911333) is 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea is CCc1cccc(CC)c1NC(=O)N/C=C/C(C)(C)C.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The InChIKey is BPDJZOZNNOLKTQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H26N2O/c1-6-13-9-8-10-14(7-2)15(13)19-16(20)18-12-11-17(3,4)5/h8-12H,6-7H2,1-5H3,(H2,18,19,20)/b12-11+.
What are the key properties of 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea?
1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea has a molecular weight of 274.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea is sourced from PubChem (CID 108911333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).