1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea

C15H27N3O — CID 3726783

IUPAC1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N3O/c1-18(2)4-3-16-14(19)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3,(H2,16,17,19)
InChIKeyHXHDVAGIOMBRDW-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.82
Rot. Bonds4

About 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea

1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 3726783) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID3726783
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N3O/c1-18(2)4-3-16-14(19)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3,(H2,16,17,19)
InChIKeyHXHDVAGIOMBRDW-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
CID 30282519
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
1-(1-adamantyl)-3-hexylurea
CID 102308549
N'-[3-(1-adamantylamino)-3-oxopropyl]-N-[3-(dimethylamino)propyl]butanediamide
CID 23252450
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
1-(1-adamantyl)-3-(6-oxooctyl)urea
CID 58239524
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
CID 5340149
1-(1-adamantyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111503740
3-(1-adamantylcarbamoylamino)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443814
4-(1-adamantylcarbamoylamino)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 24945764

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea (CID 3726783) is 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is HXHDVAGIOMBRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-18(2)4-3-16-14(19)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,3-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea?
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 265.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 3726783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).