[[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea

C15H25N3O2 — CID 3417214

IUPAC[[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NNC(N)=O)(C3)C2
InChIInChI=1S/C15H25N3O2/c1-13-3-10-4-14(2,7-13)9-15(5-10,8-13)6-11(19)17-18-12(16)20/h10H,3-9H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyVWQWZWQMBOAJIZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.07
Rot. Bonds2

About [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea

[[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea (PubChem CID 3417214) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea.

Molecular Properties

Compound Name[[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea
PubChem CID3417214
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea
SMILESCC12CC3CC(C)(C1)CC(CC(=O)NNC(N)=O)(C3)C2
InChIInChI=1S/C15H25N3O2/c1-13-3-10-4-14(2,7-13)9-15(5-10,8-13)6-11(19)17-18-12(16)20/h10H,3-9H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyVWQWZWQMBOAJIZ-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea?
The IUPAC name of [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea (CID 3417214) is [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea.
What is the SMILES notation for [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea?
The canonical SMILES for [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea is CC12CC3CC(C)(C1)CC(CC(=O)NNC(N)=O)(C3)C2.
What is the InChIKey of [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea?
The InChIKey is VWQWZWQMBOAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13-3-10-4-14(2,7-13)9-15(5-10,8-13)6-11(19)17-18-12(16)20/h10H,3-9H2,1-2H3,(H,17,19)(H3,16,18,20).
What are the key properties of [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea?
[[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea has a molecular weight of 279.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(3,5-dimethyl-1-adamantyl)acetyl]amino]urea is sourced from PubChem (CID 3417214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).