1-(2-adamantyl)-3-(2-phenylethyl)urea

C19H26N2O — CID 23582678

IUPAC1-(2-adamantyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26N2O/c22-19(20-7-6-13-4-2-1-3-5-13)21-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-18H,6-12H2,(H2,20,21,22)
InChIKeyQUHXXAPBXGLATI-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-adamantyl)-3-(2-phenylethyl)urea

1-(2-adamantyl)-3-(2-phenylethyl)urea (PubChem CID 23582678) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(2-phenylethyl)urea
PubChem CID23582678
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(2-adamantyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H26N2O/c22-19(20-7-6-13-4-2-1-3-5-13)21-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-18H,6-12H2,(H2,20,21,22)
InChIKeyQUHXXAPBXGLATI-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
N,N'-Bis(2-phenylethyl)urea
CID 95244
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
1-(1-Adamantyl)-3-(3-phenylpropyl)urea
CID 2982952
Urea, (2-cyclohexyl-2-phenylethyl)-
CID 6472454
Urea, N,N'-bis(diphenylmethyl)-
CID 201756
1-adamantan-1-yl-3-((R)-1-phenyl-ethyl)-urea
CID 44419692
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
CID 46231440
N-(2-adamantyl)-4-phenylpiperidine-1-carboxamide
CID 46231441
N-2-adamantyl-3-phenylpropanamide
CID 874886

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(2-phenylethyl)urea (CID 23582678) is 1-(2-adamantyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-(2-phenylethyl)urea?
The InChIKey is QUHXXAPBXGLATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(20-7-6-13-4-2-1-3-5-13)21-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-18H,6-12H2,(H2,20,21,22).
What are the key properties of 1-(2-adamantyl)-3-(2-phenylethyl)urea?
1-(2-adamantyl)-3-(2-phenylethyl)urea has a molecular weight of 298.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 23582678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).