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

C18H24N2O2 — CID 3545369

IUPAC1-(1-adamantyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-17(21)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H2,19,20,21)
InChIKeySITQZMUGNIFVIS-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.79
Rot. Bonds3

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

1-(1-adamantyl)-3-(4-methoxyphenyl)urea (PubChem CID 3545369) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(4-methoxyphenyl)urea
PubChem CID3545369
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(1-adamantyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-17(21)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H2,19,20,21)
InChIKeySITQZMUGNIFVIS-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-(Di-p-methoxyphenyl)urea
CID 136951
1-Adamantan-1-yl-3-(4-hydroxy-phenyl)-urea
CID 28787671
Ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]acetate
CID 11624930
1-(1-Adamantyl)-3-(3-phenoxyphenyl)urea
CID 59168676
Ethyl 2-[4-(1-adamantylcarbamoylamino)phenoxy]-2,2-difluoroacetate
CID 59168701
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
N-(4-methoxyphenyl)adamantane-1-carboxamide
CID 532253
1-(P-Anisyl)-3-benzylurea
CID 2822852
3-(P-Anisyl)-1,1-dibenzylurea
CID 3717527
1-Adamantan-1-yl-3-(3-methoxy-phenyl)-urea
CID 44582391
1-(1-Adamantyl)-3-(4-phenoxyphenyl)urea
CID 2956683
1-(4-Methoxyphenyl)-3-(1-phenylethyl)urea
CID 2837289

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(4-methoxyphenyl)urea (CID 3545369) is 1-(1-adamantyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(1-adamantyl)-3-(4-methoxyphenyl)urea?
The InChIKey is SITQZMUGNIFVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-16-4-2-15(3-5-16)19-17(21)20-18-9-12-6-13(10-18)8-14(7-12)11-18/h2-5,12-14H,6-11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(1-adamantyl)-3-(4-methoxyphenyl)urea?
1-(1-adamantyl)-3-(4-methoxyphenyl)urea has a molecular weight of 300.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 3545369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).