1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea

C19H32N2O — CID 27233877

IUPAC1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea
SMILESC[C@]12CC3CC(NC(=O)NC4CCCCC4)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C19H32N2O/c1-17-8-14-9-18(2,11-17)13-19(10-14,12-17)21-16(22)20-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H2,20,21,22)/t14?,17-,18+,19?
InChIKeyLRFUYLAMPZGXQB-KOCGSPDRSA-N
MW304.48 g/mol
LogP4.37
Rot. Bonds2

About 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea

1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea (PubChem CID 27233877) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea
PubChem CID27233877
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea
SMILESC[C@]12CC3CC(NC(=O)NC4CCCCC4)(C1)C[C@@](C)(C3)C2
InChIInChI=1S/C19H32N2O/c1-17-8-14-9-18(2,11-17)13-19(10-14,12-17)21-16(22)20-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H2,20,21,22)/t14?,17-,18+,19?
InChIKeyLRFUYLAMPZGXQB-KOCGSPDRSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea (CID 27233877) is 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea is C[C@]12CC3CC(NC(=O)NC4CCCCC4)(C1)C[C@@](C)(C3)C2.
What is the InChIKey of 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea?
The InChIKey is LRFUYLAMPZGXQB-KOCGSPDRSA-N. The full InChI is InChI=1S/C19H32N2O/c1-17-8-14-9-18(2,11-17)13-19(10-14,12-17)21-16(22)20-15-6-4-3-5-7-15/h14-15H,3-13H2,1-2H3,(H2,20,21,22)/t14?,17-,18+,19?.
What are the key properties of 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea?
1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea has a molecular weight of 304.48 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3S,5R)-3,5-dimethyl-1-adamantyl]urea is sourced from PubChem (CID 27233877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).