1-(1-adamantylmethyl)-3-phenylurea

C18H24N2O — CID 6466568

IUPAC1-(1-adamantylmethyl)-3-phenylurea
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1
InChIInChI=1S/C18H24N2O/c21-17(20-16-4-2-1-3-5-16)19-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H2,19,20,21)
InChIKeyHQCJRUMAJBUKSI-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.02
Rot. Bonds3

About 1-(1-adamantylmethyl)-3-phenylurea

1-(1-adamantylmethyl)-3-phenylurea (PubChem CID 6466568) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-phenylurea
PubChem CID6466568
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(1-adamantylmethyl)-3-phenylurea
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1
InChIInChI=1S/C18H24N2O/c21-17(20-16-4-2-1-3-5-16)19-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H2,19,20,21)
InChIKeyHQCJRUMAJBUKSI-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Siduron
CID 16116
1-(2-Adamantyl)-3-(2,3,4-trifluorophenyl)urea
CID 3754047
Nte-122
CID 9830692
1-Adamantan-1-yl-3-phenyl-urea
CID 3090774
1-(1-Adamantyl)-3-(2,3,4-trifluorophenyl)urea
CID 54752297
N-(Cyclohexylmethyl)-N'-phenylurea
CID 4557394
N-(1-Adamantyl)-N'-(4-Guanidinobenzyl)Urea
CID 4286
1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
N-(4-Methylphenyl)-N'-(4-phenylbutyl)urea
CID 24818670
1-(2-Methylphenyl)-3-(4-phenylbutyl)urea
CID 24819105
1-Phenyl-3-(3-phenylpropyl)urea
CID 280361
1-Benzyl-3-phenylurea
CID 280363

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-phenylurea?
The IUPAC name of 1-(1-adamantylmethyl)-3-phenylurea (CID 6466568) is 1-(1-adamantylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-phenylurea?
The canonical SMILES for 1-(1-adamantylmethyl)-3-phenylurea is O=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccccc1.
What is the InChIKey of 1-(1-adamantylmethyl)-3-phenylurea?
The InChIKey is HQCJRUMAJBUKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c21-17(20-16-4-2-1-3-5-16)19-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H2,19,20,21).
What are the key properties of 1-(1-adamantylmethyl)-3-phenylurea?
1-(1-adamantylmethyl)-3-phenylurea has a molecular weight of 284.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-3-phenylurea is sourced from PubChem (CID 6466568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).