1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea

C22H34N2O — CID 108903567

IUPAC1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H34N2O/c1-19-13-11-12-14-20(19)17-18-23-22(25)24-21-15-9-7-5-3-2-4-6-8-10-16-21/h11-14,17-18,21H,2-10,15-16H2,1H3,(H2,23,24,25)/b18-17+
InChIKeyNRZKCEBXLDPOES-ISLYRVAYSA-N
MW342.53 g/mol
LogP5.94
Rot. Bonds3

About 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea

1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea (PubChem CID 108903567) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
PubChem CID108903567
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C22H34N2O/c1-19-13-11-12-14-20(19)17-18-23-22(25)24-21-15-9-7-5-3-2-4-6-8-10-16-21/h11-14,17-18,21H,2-10,15-16H2,1H3,(H2,23,24,25)/b18-17+
InChIKeyNRZKCEBXLDPOES-ISLYRVAYSA-N
XLogP5.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903627
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
1-cyclododecyl-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904312
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 8936848
1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907580
(E)-N-cyclohexyl-2-(2-methylphenyl)ethenesulfonamide
CID 15365454
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
CID 43389166
1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903488
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464
1-cyclohexyl-3-[(E)-3-methylbut-1-enyl]urea
CID 108910912
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903692

Frequently Asked Questions

What is the IUPAC name of 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The IUPAC name of 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea (CID 108903567) is 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea is Cc1ccccc1/C=C/NC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The InChIKey is NRZKCEBXLDPOES-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-19-13-11-12-14-20(19)17-18-23-22(25)24-21-15-9-7-5-3-2-4-6-8-10-16-21/h11-14,17-18,21H,2-10,15-16H2,1H3,(H2,23,24,25)/b18-17+.
What are the key properties of 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea has a molecular weight of 342.53 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108903567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).