1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea

C20H28N2O2 — CID 108866526

IUPAC1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)21-19(23)22-17-5-3-4-6-18(17)24-2/h3-6,13-16H,7-12H2,1-2H3,(H2,21,22,23)
InChIKeyYEUUZSUFGGIPKT-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.42
Rot. Bonds4

About 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea

1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 108866526) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
PubChem CID108866526
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)21-19(23)22-17-5-3-4-6-18(17)24-2/h3-6,13-16H,7-12H2,1-2H3,(H2,21,22,23)
InChIKeyYEUUZSUFGGIPKT-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 108875476
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9030121
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(2R)-2-(1-adamantylamino)-N-(2-methoxyphenyl)propanamide
CID 9358506
2-(2-acetamidophenoxy)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7867259
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(1-adamantyl)acetate
CID 7695474
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 7871042
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea (CID 108866526) is 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is YEUUZSUFGGIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)21-19(23)22-17-5-3-4-6-18(17)24-2/h3-6,13-16H,7-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea?
1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 328.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 108866526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).