1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea

C14H20N2O2 — CID 108907733

IUPAC1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCCN(CC)C(=O)N/C=C/c1ccc(OC)cc1
InChIInChI=1S/C14H20N2O2/c1-4-16(5-2)14(17)15-11-10-12-6-8-13(18-3)9-7-12/h6-11H,4-5H2,1-3H3,(H,15,17)/b11-10+
InChIKeyMEDAPWLHRPYKCP-ZHACJKMWSA-N
MW248.33 g/mol
LogP2.72
Rot. Bonds5

About 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea

1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (PubChem CID 108907733) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
PubChem CID108907733
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCCN(CC)C(=O)N/C=C/c1ccc(OC)cc1
InChIInChI=1S/C14H20N2O2/c1-4-16(5-2)14(17)15-11-10-12-6-8-13(18-3)9-7-12/h6-11H,4-5H2,1-3H3,(H,15,17)/b11-10+
InChIKeyMEDAPWLHRPYKCP-ZHACJKMWSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907742
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
(E)-N-(diethylcarbamothioyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6276098
1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904010
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
N,N-diethyl-2-[2-(4-methoxyphenyl)ethenyl]benzamide
CID 54111558
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
1,1-diethyl-3-[1-(4-methoxyphenyl)ethyl]urea
CID 115598127
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (CID 108907733) is 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is CCN(CC)C(=O)N/C=C/c1ccc(OC)cc1.
What is the InChIKey of 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The InChIKey is MEDAPWLHRPYKCP-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-16(5-2)14(17)15-11-10-12-6-8-13(18-3)9-7-12/h6-11H,4-5H2,1-3H3,(H,15,17)/b11-10+.
What are the key properties of 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea has a molecular weight of 248.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108907733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).