1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea

C15H26N2O2 — CID 73348824

IUPAC1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O2/c1-2-13(9-18)16-14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13,18H,2-9H2,1H3,(H2,16,17,19)/t10?,11?,12?,13-,15?/m1/s1
InChIKeyWRHSAIBEWYUGIE-OEXLFXSVSA-N
MW266.38 g/mol
LogP2.03
Rot. Bonds4

About 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea

1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea (PubChem CID 73348824) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
PubChem CID73348824
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O2/c1-2-13(9-18)16-14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13,18H,2-9H2,1H3,(H2,16,17,19)/t10?,11?,12?,13-,15?/m1/s1
InChIKeyWRHSAIBEWYUGIE-OEXLFXSVSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
N-[(2S)-1-hydroxybutan-2-yl]adamantane-1-carboxamide
CID 40570555
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433
(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid
CID 107564760
1-(1-adamantyl)-3-but-3-yn-2-ylurea
CID 114419040
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
1-(1-adamantyl)-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea
CID 107866668
2-[3-(1-adamantylcarbamoylamino)propanoylamino]butanoic acid
CID 119224010
1-(1-adamantyl)-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 7126735
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
N-(1,3-dihydroxypropan-2-yl)adamantane-1-carboxamide
CID 65315657

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea (CID 73348824) is 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea is CC[C@H](CO)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea?
The InChIKey is WRHSAIBEWYUGIE-OEXLFXSVSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-13(9-18)16-14(19)17-15-6-10-3-11(7-15)5-12(4-10)8-15/h10-13,18H,2-9H2,1H3,(H2,16,17,19)/t10?,11?,12?,13-,15?/m1/s1.
What are the key properties of 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea?
1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea has a molecular weight of 266.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[(2R)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 73348824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).