1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea

C15H21ClN2O — CID 108904820

IUPAC1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea
SMILESCCN(C(=O)N/C=C/c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C15H21ClN2O/c1-5-18(15(2,3)4)14(19)17-11-10-12-8-6-7-9-13(12)16/h6-11H,5H2,1-4H3,(H,17,19)/b11-10+
InChIKeyCFZKPNTZDAFLFU-ZHACJKMWSA-N
MW280.80 g/mol
LogP4.14
Rot. Bonds3

About 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea

1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea (PubChem CID 108904820) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea.

Molecular Properties

Compound Name1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea
PubChem CID108904820
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea
SMILESCCN(C(=O)N/C=C/c1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C15H21ClN2O/c1-5-18(15(2,3)4)14(19)17-11-10-12-8-6-7-9-13(12)16/h6-11H,5H2,1-4H3,(H,17,19)/b11-10+
InChIKeyCFZKPNTZDAFLFU-ZHACJKMWSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminoethyl)-N-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoyl]acetamide
CID 108904818
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108904876
3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108904598
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[3-(diethylamino)propyl]urea
CID 108904741
3-(2-chlorophenyl)-N-(diethylcarbamothioyl)prop-2-enamide
CID 4508506
1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904010
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108904848
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]-ethylamino]acetic acid
CID 54901044
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
1-(1-adamantyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904821

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea?
The IUPAC name of 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea (CID 108904820) is 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea.
What is the SMILES notation for 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea?
The canonical SMILES for 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea is CCN(C(=O)N/C=C/c1ccccc1Cl)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea?
The InChIKey is CFZKPNTZDAFLFU-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-5-18(15(2,3)4)14(19)17-11-10-12-8-6-7-9-13(12)16/h6-11H,5H2,1-4H3,(H,17,19)/b11-10+.
What are the key properties of 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea?
1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea has a molecular weight of 280.80 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(E)-2-(2-chlorophenyl)ethenyl]-1-ethylurea is sourced from PubChem (CID 108904820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).