1-(1-adamantyl)-3-hexylurea

C17H30N2O — CID 102308549

IUPAC1-(1-adamantyl)-3-hexylurea
SMILESCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-18-16(20)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3,(H2,18,19,20)
InChIKeyCKJPDILNPKUOIS-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.83
Rot. Bonds6

About 1-(1-adamantyl)-3-hexylurea

1-(1-adamantyl)-3-hexylurea (PubChem CID 102308549) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-hexylurea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-hexylurea
PubChem CID102308549
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(1-adamantyl)-3-hexylurea
SMILESCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N2O/c1-2-3-4-5-6-18-16(20)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3,(H2,18,19,20)
InChIKeyCKJPDILNPKUOIS-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-adamantyl)-3-hexylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-adamantyl)-3-(4-hydroxydecyl)urea
CID 11772500
1-(1-adamantyl)-3-(6-oxooctyl)urea
CID 58239524
1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea
CID 59168740
propan-2-yl 12-(1-adamantylcarbamoylamino)dodecanoate
CID 11362548
butyl 12-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamoylamino]dodecanoate
CID 130219449
N-(1-adamantyl)nonanamide
CID 4685611
1-(1-adamantyl)-3-butylthiourea
CID 2828011
N-(1-adamantyl)hexanamide
CID 4687392
1-(1-adamantyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111503740
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
CID 30282519

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-hexylurea?
The IUPAC name of 1-(1-adamantyl)-3-hexylurea (CID 102308549) is 1-(1-adamantyl)-3-hexylurea.
What is the SMILES notation for 1-(1-adamantyl)-3-hexylurea?
The canonical SMILES for 1-(1-adamantyl)-3-hexylurea is CCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-hexylurea?
The InChIKey is CKJPDILNPKUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-3-4-5-6-18-16(20)19-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,2-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-(1-adamantyl)-3-hexylurea?
1-(1-adamantyl)-3-hexylurea has a molecular weight of 278.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-hexylurea is sourced from PubChem (CID 102308549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).