1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea

C20H28N2O2 — CID 108870498

IUPAC1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CO)cc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2/c23-12-15-3-1-14(2-4-15)11-21-19(24)22-13-20-8-16-5-17(9-20)7-18(6-16)10-20/h1-4,16-18,23H,5-13H2,(H2,21,22,24)
InChIKeyWJNJFNGLJORBRW-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.19
Rot. Bonds5

About 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea

1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 108870498) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
PubChem CID108870498
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CO)cc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O2/c23-12-15-3-1-14(2-4-15)11-21-19(24)22-13-20-8-16-5-17(9-20)7-18(6-16)10-20/h1-4,16-18,23H,5-13H2,(H2,21,22,24)
InChIKeyWJNJFNGLJORBRW-UHFFFAOYSA-N
XLogP3.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea 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-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
1-(1-adamantylmethyl)-3-(4-ethylphenyl)urea
CID 108870369
1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24664912
1-(1-adamantylmethyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 36968166
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
1-(1-adamantylmethyl)-3-cyclopropylurea
CID 47127475
N-(1-adamantylmethyl)-5-nitrofuran-2-carboxamide
CID 17145977
1-(1-adamantylmethyl)-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108870429
4-(1-adamantylmethylcarbamoylamino)benzamide
CID 108870439
1-(1-adamantylmethyl)-3-[2-(2-bromophenyl)ethyl]urea
CID 108870510
1,3-bis[[4-(sulfanylmethyl)phenyl]methyl]urea
CID 101073558
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea (CID 108870498) is 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea is O=C(NCc1ccc(CO)cc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is WJNJFNGLJORBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-12-15-3-1-14(2-4-15)11-21-19(24)22-13-20-8-16-5-17(9-20)7-18(6-16)10-20/h1-4,16-18,23H,5-13H2,(H2,21,22,24).
What are the key properties of 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea?
1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 328.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 108870498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).