3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea

C18H28N2O — CID 108903693

IUPAC3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea
SMILESCc1ccccc1/C=C/NC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C18H28N2O/c1-14(2)12-20(13-15(3)4)18(21)19-11-10-17-9-7-6-8-16(17)5/h6-11,14-15H,12-13H2,1-5H3,(H,19,21)/b11-10+
InChIKeyZRGXCQNDNXHLIY-ZHACJKMWSA-N
MW288.44 g/mol
LogP4.29
Rot. Bonds6

About 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea

3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea (PubChem CID 108903693) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea
PubChem CID108903693
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea
SMILESCc1ccccc1/C=C/NC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C18H28N2O/c1-14(2)12-20(13-15(3)4)18(21)19-11-10-17-9-7-6-8-16(17)5/h6-11,14-15H,12-13H2,1-5H3,(H,19,21)/b11-10+
InChIKeyZRGXCQNDNXHLIY-ZHACJKMWSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903488
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
CID 108903493
1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903690
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903472
1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904010
1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903526
N-[(E)-2-(2-methylphenyl)ethenyl]naphthalene-2-carboxamide
CID 71501497
1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903510
2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066150
1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
2-[(2,6-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066316

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea (CID 108903693) is 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea is Cc1ccccc1/C=C/NC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea?
The InChIKey is ZRGXCQNDNXHLIY-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)12-20(13-15(3)4)18(21)19-11-10-17-9-7-6-8-16(17)5/h6-11,14-15H,12-13H2,1-5H3,(H,19,21)/b11-10+.
What are the key properties of 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea?
3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea has a molecular weight of 288.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 108903693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).