1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea

C22H32N2O2 — CID 108895977

IUPAC1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea
SMILESCCOc1ccc(C)cc1C(C)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O2/c1-4-26-20-6-5-14(2)7-19(20)15(3)23-21(25)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h5-7,15-18H,4,8-13H2,1-3H3,(H2,23,24,25)
InChIKeyZQYBRTRHFYMKJE-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.72
Rot. Bonds5

About 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea

1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea (PubChem CID 108895977) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea
PubChem CID108895977
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea
SMILESCCOc1ccc(C)cc1C(C)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O2/c1-4-26-20-6-5-14(2)7-19(20)15(3)23-21(25)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h5-7,15-18H,4,8-13H2,1-3H3,(H2,23,24,25)
InChIKeyZQYBRTRHFYMKJE-UHFFFAOYSA-N
XLogP4.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-(3,4-diethoxyphenyl)urea
CID 108896002
[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate
CID 108865505
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108867649
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-[3-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-3-oxopropyl]adamantane-1-carboxamide
CID 9263320
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 108869124
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108510678
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108510494
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 16527888
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108510642
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea (CID 108895977) is 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea is CCOc1ccc(C)cc1C(C)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea?
The InChIKey is ZQYBRTRHFYMKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-4-26-20-6-5-14(2)7-19(20)15(3)23-21(25)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h5-7,15-18H,4,8-13H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea?
1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea has a molecular weight of 356.51 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea is sourced from PubChem (CID 108895977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).