3-(1-adamantyl)-1-benzyl-1-ethylurea

C20H28N2O — CID 108896014

IUPAC3-(1-adamantyl)-1-benzyl-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O/c1-2-22(14-15-6-4-3-5-7-15)19(23)21-20-11-16-8-17(12-20)10-18(9-16)13-20/h3-7,16-18H,2,8-14H2,1H3,(H,21,23)
InChIKeyPKERQTFXKPGEHF-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.19
Rot. Bonds4

About 3-(1-adamantyl)-1-benzyl-1-ethylurea

3-(1-adamantyl)-1-benzyl-1-ethylurea (PubChem CID 108896014) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 3-(1-adamantyl)-1-benzyl-1-ethylurea.

Molecular Properties

Compound Name3-(1-adamantyl)-1-benzyl-1-ethylurea
PubChem CID108896014
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name3-(1-adamantyl)-1-benzyl-1-ethylurea
SMILESCCN(Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O/c1-2-22(14-15-6-4-3-5-7-15)19(23)21-20-11-16-8-17(12-20)10-18(9-16)13-20/h3-7,16-18H,2,8-14H2,1H3,(H,21,23)
InChIKeyPKERQTFXKPGEHF-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-adamantylcarbamoyl(propyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 4029663
N-(1-adamantyl)-2-[benzyl(methyl)amino]acetamide
CID 3556406
N-[1-(1-adamantyl)ethyl]-N'-benzyl-N'-ethyloxamide
CID 108509082
2-[1-adamantylcarbamoyl(3-ethoxypropyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 5034342
3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 6624810
[4-[[1-adamantylcarbamoyl(butyl)amino]methyl]phenyl] methanesulfonate
CID 3414538
[4-[[1-adamantylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate
CID 3956730
2-[1-adamantylcarbamoyl(2-methoxyethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4285566
3-(1-adamantyl)-1-[(1-benzylpyrrol-2-yl)methyl]-1-(2-methoxyethyl)urea
CID 3495765
(2R)-N-(1-adamantylcarbamoyl)-2-[benzyl(methyl)amino]propanamide
CID 9346080
2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-benzyl-N-(thiophen-2-ylmethyl)acetamide
CID 3995283
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1-benzyl-1-ethylurea?
The IUPAC name of 3-(1-adamantyl)-1-benzyl-1-ethylurea (CID 108896014) is 3-(1-adamantyl)-1-benzyl-1-ethylurea.
What is the SMILES notation for 3-(1-adamantyl)-1-benzyl-1-ethylurea?
The canonical SMILES for 3-(1-adamantyl)-1-benzyl-1-ethylurea is CCN(Cc1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-1-benzyl-1-ethylurea?
The InChIKey is PKERQTFXKPGEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-2-22(14-15-6-4-3-5-7-15)19(23)21-20-11-16-8-17(12-20)10-18(9-16)13-20/h3-7,16-18H,2,8-14H2,1H3,(H,21,23).
What are the key properties of 3-(1-adamantyl)-1-benzyl-1-ethylurea?
3-(1-adamantyl)-1-benzyl-1-ethylurea has a molecular weight of 312.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1-benzyl-1-ethylurea is sourced from PubChem (CID 108896014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).