1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea

C16H27N3O2 — CID 103548771

IUPAC1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea
SMILESO=C(NCC1COCCN1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O2/c20-15(18-9-14-10-21-2-1-17-14)19-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,17H,1-10H2,(H2,18,19,20)
InChIKeyXYASQRJLMKELOU-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.24
Rot. Bonds3

About 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea

1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea (PubChem CID 103548771) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea
PubChem CID103548771
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea
SMILESO=C(NCC1COCCN1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N3O2/c20-15(18-9-14-10-21-2-1-17-14)19-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,17H,1-10H2,(H2,18,19,20)
InChIKeyXYASQRJLMKELOU-UHFFFAOYSA-N
XLogP1.24
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
morpholin-3-ylmethylurea
CID 103548775
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
2,2,3,3-tetramethyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548670
2-methyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548262
2-methyl-N-[[(3S)-morpholin-3-yl]methyl]propanamide
CID 166764726
2-cyclopropyl-N-(morpholin-3-ylmethyl)acetamide
CID 103548657
N-(morpholin-3-ylmethyl)but-3-enamide
CID 103548351
1-(4-chlorophenyl)-3-(morpholin-3-ylmethyl)urea
CID 103548785
5-methyl-N-(morpholin-3-ylmethyl)oxolane-3-carboxamide
CID 103548749
1-(1-adamantyl)-3-(piperidin-1-ium-4-ylmethyl)urea
CID 28786562
N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103548516

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea (CID 103548771) is 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea is O=C(NCC1COCCN1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea?
The InChIKey is XYASQRJLMKELOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15(18-9-14-10-21-2-1-17-14)19-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,17H,1-10H2,(H2,18,19,20).
What are the key properties of 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea?
1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea has a molecular weight of 293.41 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(morpholin-3-ylmethyl)urea is sourced from PubChem (CID 103548771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).