1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea

C20H28N2O — CID 108870369

IUPAC1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H28N2O/c1-2-14-3-5-18(6-4-14)22-19(23)21-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,2,7-13H2,1H3,(H2,21,22,23)
InChIKeyVPMNTEIQGSJTKV-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.59
Rot. Bonds4

About 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea

1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea (PubChem CID 108870369) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea
PubChem CID108870369
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H28N2O/c1-2-14-3-5-18(6-4-14)22-19(23)21-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,2,7-13H2,1H3,(H2,21,22,23)
InChIKeyVPMNTEIQGSJTKV-UHFFFAOYSA-N
XLogP4.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 4-(1-adamantylmethylcarbamoylamino)benzoate
CID 2926457
4-(1-adamantylmethylcarbamoylamino)benzamide
CID 108870439
1-(1-adamantylmethyl)-3-(4-cyanophenyl)urea
CID 108870350
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-(1-adamantylmethyl)-3-[3-(dimethylamino)phenyl]urea
CID 108870422
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
CID 108870498
1-(1-adamantylmethyl)-3-[4-[(2S)-butan-2-yl]phenyl]thiourea
CID 40621707
1-(1-adamantylmethyl)-3-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]urea
CID 25036730
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
1-(1-adamantylmethyl)-3-(4-methoxyphenyl)thiourea
CID 3694400
1-(4-ethylphenyl)-3-methylurea
CID 54250791

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea?
The IUPAC name of 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea (CID 108870369) is 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NCC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea?
The InChIKey is VPMNTEIQGSJTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-2-14-3-5-18(6-4-14)22-19(23)21-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h3-6,15-17H,2,7-13H2,1H3,(H2,21,22,23).
What are the key properties of 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea?
1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea has a molecular weight of 312.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea is sourced from PubChem (CID 108870369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).