1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea

C19H26N2O — CID 5237347

IUPAC1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26N2O/c1-13-2-4-14(5-3-13)12-20-18(22)21-19-9-15-6-16(10-19)8-17(7-15)11-19/h2-5,15-17H,6-12H2,1H3,(H2,20,21,22)
InChIKeyVXYPRGSATSUCOZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.76
Rot. Bonds3

About 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea

1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea (PubChem CID 5237347) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea
PubChem CID5237347
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26N2O/c1-13-2-4-14(5-3-13)12-20-18(22)21-19-9-15-6-16(10-19)8-17(7-15)11-19/h2-5,15-17H,6-12H2,1H3,(H2,20,21,22)
InChIKeyVXYPRGSATSUCOZ-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-yl)-urea
CID 2955557
1-[2-(Dimethylamino)ethyl]-3-[3-(4-methylphenyl)-1-adamantyl]urea
CID 3424493
1-(1-Adamantyl)-3-(3-phenylpropyl)urea
CID 2982952
Urea, N,N'-bis(diphenylmethyl)-
CID 201756
1-adamantan-1-yl-3-((R)-1-phenyl-ethyl)-urea
CID 44419692
N-(1-adamantylmethyl)-N'-benzylurea
CID 2926477
N-adamantanyl{[2-(4-fluorophenyl)ethyl]amino}carboxamide
CID 2982729
1-(1-Adamantyl)-3-benzylurea
CID 3758167
N-[(4-methylphenyl)(phenyl)methyl]urea
CID 2850258
1-(2-Adamantyl)-3-(2-phenylethyl)urea
CID 23582678
1-Adamantan-1-yl-3-(1-benzyl-piperidin-4-ylmethyl)-urea
CID 24849909
N-(1-adamantyl)-1,3-dihydroisoindole-2-carboxamide
CID 71559639

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea (CID 5237347) is 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea?
The InChIKey is VXYPRGSATSUCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-2-4-14(5-3-13)12-20-18(22)21-19-9-15-6-16(10-19)8-17(7-15)11-19/h2-5,15-17H,6-12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea?
1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea has a molecular weight of 298.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 5237347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).