1-(2-adamantyl)-3-(4-methoxyphenyl)urea

C18H24N2O2 — CID 23581964

IUPAC1-(2-adamantyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-18(21)20-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H2,19,20,21)
InChIKeyXMDMNOXHNSLROT-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-adamantyl)-3-(4-methoxyphenyl)urea

1-(2-adamantyl)-3-(4-methoxyphenyl)urea (PubChem CID 23581964) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(4-methoxyphenyl)urea
PubChem CID23581964
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(2-adamantyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-18(21)20-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H2,19,20,21)
InChIKeyXMDMNOXHNSLROT-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
Ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate
CID 11624930
cis-1-Adamantan-1-yl-3-[4-(4-nitrophenoxy)cyclohexyl]urea
CID 16756172
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
1-(P-Anisyl)-3-benzylurea
CID 2822852
3-(P-Anisyl)-1,1-dibenzylurea
CID 3717527
1-(1-Adamantyl)-3-(4-methoxyphenyl)urea
CID 3545369
1-Adamantan-1-yl-3-(3-methoxy-phenyl)-urea
CID 44582391
1-(1-Adamantyl)-3-(4-phenoxyphenyl)urea
CID 2956683
1-[2-(4-Fluoro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10915843
1-[2-(4-Methoxy-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11025578

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(4-methoxyphenyl)urea (CID 23581964) is 1-(2-adamantyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 1-(2-adamantyl)-3-(4-methoxyphenyl)urea?
The InChIKey is XMDMNOXHNSLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-18(21)20-17-13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,17H,6-10H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-adamantyl)-3-(4-methoxyphenyl)urea?
1-(2-adamantyl)-3-(4-methoxyphenyl)urea has a molecular weight of 300.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 23581964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).