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

C20H26N2O2 — CID 108907800

IUPAC1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26N2O2/c1-24-18-4-2-14(3-5-18)6-7-21-19(23)22-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-7,15-17H,8-13H2,1H3,(H2,21,22,23)/b7-6+
InChIKeyHAKWJEOIRSBIJD-VOTSOKGWSA-N
MW326.44 g/mol
LogP3.93
Rot. Bonds4

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

1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (PubChem CID 108907800) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
PubChem CID108907800
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26N2O2/c1-24-18-4-2-14(3-5-18)6-7-21-19(23)22-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-7,15-17H,8-13H2,1H3,(H2,21,22,23)/b7-6+
InChIKeyHAKWJEOIRSBIJD-VOTSOKGWSA-N
XLogP3.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-adamantyl)ethyl]-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907609
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907580
1-(1-adamantyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904449
1-(1-adamantyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904821
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
CID 108907670
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
N-(1-adamantyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318028
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686
[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680
N'-(1-adamantyl)-N-[(4-methoxyphenyl)methyl]butanediamide
CID 4028517

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (CID 108907800) is 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is COc1ccc(/C=C/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The InChIKey is HAKWJEOIRSBIJD-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-24-18-4-2-14(3-5-18)6-7-21-19(23)22-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-7,15-17H,8-13H2,1H3,(H2,21,22,23)/b7-6+.
What are the key properties of 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea has a molecular weight of 326.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108907800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).