1-(1-adamantyl)-3-(3-hydroxypentyl)urea

C16H28N2O2 — CID 115704022

IUPAC1-(1-adamantyl)-3-(3-hydroxypentyl)urea
SMILESCCC(O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O2/c1-2-14(19)3-4-17-15(20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14,19H,2-10H2,1H3,(H2,17,18,20)
InChIKeyQRVJZJDIAXJXLX-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.42
Rot. Bonds5

About 1-(1-adamantyl)-3-(3-hydroxypentyl)urea

1-(1-adamantyl)-3-(3-hydroxypentyl)urea (PubChem CID 115704022) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(3-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(3-hydroxypentyl)urea
PubChem CID115704022
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(1-adamantyl)-3-(3-hydroxypentyl)urea
SMILESCCC(O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H28N2O2/c1-2-14(19)3-4-17-15(20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14,19H,2-10H2,1H3,(H2,17,18,20)
InChIKeyQRVJZJDIAXJXLX-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-(4-hydroxydecyl)urea
CID 11772500
1-(1-adamantyl)-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593878
1-(1-adamantyl)-3-hexylurea
CID 102308549
2-[3-(1-adamantylcarbamoylamino)propanoylamino]butanoic acid
CID 119224010
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
1-(1-adamantyl)-3-(6-oxooctyl)urea
CID 58239524
1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
CID 30282519
1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 73348824
1-(1-adamantyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63261849
3-(1-adamantylcarbamoylamino)-N-[(2S)-1-aminopropan-2-yl]propanamide
CID 120505636

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(3-hydroxypentyl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(3-hydroxypentyl)urea (CID 115704022) is 1-(1-adamantyl)-3-(3-hydroxypentyl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(3-hydroxypentyl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(3-hydroxypentyl)urea is CCC(O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-(3-hydroxypentyl)urea?
The InChIKey is QRVJZJDIAXJXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-14(19)3-4-17-15(20)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14,19H,2-10H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-adamantyl)-3-(3-hydroxypentyl)urea?
1-(1-adamantyl)-3-(3-hydroxypentyl)urea has a molecular weight of 280.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(3-hydroxypentyl)urea is sourced from PubChem (CID 115704022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).