[(3,5-dimethyladamantane-1-carbonyl)amino]urea

C14H23N3O2 — CID 541477

IUPAC[(3,5-dimethyladamantane-1-carbonyl)amino]urea
SMILESCC12CC3CC(C)(C1)CC(C(=O)NNC(N)=O)(C3)C2
InChIInChI=1S/C14H23N3O2/c1-12-3-9-4-13(2,6-12)8-14(5-9,7-12)10(18)16-17-11(15)19/h9H,3-8H2,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyWXOVAVXCJROWQY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.68
Rot. Bonds1

About [(3,5-dimethyladamantane-1-carbonyl)amino]urea

[(3,5-dimethyladamantane-1-carbonyl)amino]urea (PubChem CID 541477) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [(3,5-dimethyladamantane-1-carbonyl)amino]urea.

Molecular Properties

Compound Name[(3,5-dimethyladamantane-1-carbonyl)amino]urea
PubChem CID541477
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[(3,5-dimethyladamantane-1-carbonyl)amino]urea
SMILESCC12CC3CC(C)(C1)CC(C(=O)NNC(N)=O)(C3)C2
InChIInChI=1S/C14H23N3O2/c1-12-3-9-4-13(2,6-12)8-14(5-9,7-12)10(18)16-17-11(15)19/h9H,3-8H2,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyWXOVAVXCJROWQY-UHFFFAOYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.68
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 [(3,5-dimethyladamantane-1-carbonyl)amino]urea?
The IUPAC name of [(3,5-dimethyladamantane-1-carbonyl)amino]urea (CID 541477) is [(3,5-dimethyladamantane-1-carbonyl)amino]urea.
What is the SMILES notation for [(3,5-dimethyladamantane-1-carbonyl)amino]urea?
The canonical SMILES for [(3,5-dimethyladamantane-1-carbonyl)amino]urea is CC12CC3CC(C)(C1)CC(C(=O)NNC(N)=O)(C3)C2.
What is the InChIKey of [(3,5-dimethyladamantane-1-carbonyl)amino]urea?
The InChIKey is WXOVAVXCJROWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-3-9-4-13(2,6-12)8-14(5-9,7-12)10(18)16-17-11(15)19/h9H,3-8H2,1-2H3,(H,16,18)(H3,15,17,19).
What are the key properties of [(3,5-dimethyladamantane-1-carbonyl)amino]urea?
[(3,5-dimethyladamantane-1-carbonyl)amino]urea has a molecular weight of 265.36 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethyladamantane-1-carbonyl)amino]urea is sourced from PubChem (CID 541477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).