1-(2-adamantyl)-3-(3-hydroxybutyl)urea

C15H26N2O2 — CID 111337058

IUPAC1-(2-adamantyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O2/c1-9(18)2-3-16-15(19)17-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14,18H,2-8H2,1H3,(H2,16,17,19)
InChIKeySQKSDODFLOOJPA-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-adamantyl)-3-(3-hydroxybutyl)urea

1-(2-adamantyl)-3-(3-hydroxybutyl)urea (PubChem CID 111337058) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2-adamantyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2-adamantyl)-3-(3-hydroxybutyl)urea
PubChem CID111337058
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2-adamantyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H26N2O2/c1-9(18)2-3-16-15(19)17-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14,18H,2-8H2,1H3,(H2,16,17,19)
InChIKeySQKSDODFLOOJPA-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-adamantyl)-4-hydroxypentanamide
CID 79200321
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
N-(2-adamantyl)-3-(propan-2-ylamino)propanamide
CID 60853991
N-(2-adamantyl)-3-methylbutanamide
CID 959856
1-(2-adamantyl)-3-(3-methyl-2-oxo-5-phenylpentyl)urea
CID 68905991
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea
CID 111337114
2-(2-adamantylamino)-N-propylpropanamide
CID 43224055
1-(2-adamantyl)-3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]urea
CID 112831635
3-(2-adamantyl)-1-cyclopropyl-1-(3-methylbutyl)urea
CID 112832124
N-(2-adamantyl)-3-oxobutanamide
CID 879553

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(2-adamantyl)-3-(3-hydroxybutyl)urea (CID 111337058) is 1-(2-adamantyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(2-adamantyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(2-adamantyl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-3-(3-hydroxybutyl)urea?
The InChIKey is SQKSDODFLOOJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-9(18)2-3-16-15(19)17-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14,18H,2-8H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-adamantyl)-3-(3-hydroxybutyl)urea?
1-(2-adamantyl)-3-(3-hydroxybutyl)urea has a molecular weight of 266.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111337058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).