1-(1-adamantylmethyl)-3-benzylurea

C19H26N2O — CID 2926477

IUPAC1-(1-adamantylmethyl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O/c22-18(20-12-14-4-2-1-3-5-14)21-13-19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-17H,6-13H2,(H2,20,21,22)
InChIKeyKIARHHCFUPPAMF-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.70
Rot. Bonds4

About 1-(1-adamantylmethyl)-3-benzylurea

1-(1-adamantylmethyl)-3-benzylurea (PubChem CID 2926477) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-benzylurea.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-benzylurea
PubChem CID2926477
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-(1-adamantylmethyl)-3-benzylurea
SMILESO=C(NCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O/c22-18(20-12-14-4-2-1-3-5-14)21-13-19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-17H,6-13H2,(H2,20,21,22)
InChIKeyKIARHHCFUPPAMF-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-benzylurea?
The IUPAC name of 1-(1-adamantylmethyl)-3-benzylurea (CID 2926477) is 1-(1-adamantylmethyl)-3-benzylurea.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-benzylurea?
The canonical SMILES for 1-(1-adamantylmethyl)-3-benzylurea is O=C(NCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethyl)-3-benzylurea?
The InChIKey is KIARHHCFUPPAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-18(20-12-14-4-2-1-3-5-14)21-13-19-9-15-6-16(10-19)8-17(7-15)11-19/h1-5,15-17H,6-13H2,(H2,20,21,22).
What are the key properties of 1-(1-adamantylmethyl)-3-benzylurea?
1-(1-adamantylmethyl)-3-benzylurea has a molecular weight of 298.43 g/mol, XLogP of 3.70, 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-benzylurea is sourced from PubChem (CID 2926477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).