1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea

C9H18N2O2 — CID 12696599

IUPAC1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea
SMILES[2H]C([2H])(CO)NC(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13)/i6D2
InChIKeyMJBAEQKACQBEMK-NCYHJHSESA-N
MW188.27 g/mol
LogP0.61
Rot. Bonds3

About 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea

1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea (PubChem CID 12696599) has the molecular formula C9H18N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea
PubChem CID12696599
Molecular FormulaC9H18N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea
SMILES[2H]C([2H])(CO)NC(=O)NC1CCCCC1
InChIInChI=1S/C9H18N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13)/i6D2
InChIKeyMJBAEQKACQBEMK-NCYHJHSESA-N
XLogP0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)-N'-(6-((((2-hydroxyethyl)amino)carbonyl)amino)hexyl)urea
CID 90024
N-Cyclohexyl-N'-(2-hydroxy-1-(hydroxymethyl)-1-methylethyl)urea
CID 853062
N-Cyclohexyl-N'-(2-hydroxy-1,1-dimethylethyl)urea
CID 853713
1-Cyclohexyl-3-(3-methoxypropyl)urea
CID 4063047
1-Cyclohexyl-3-(6-hydroxyhexyl)urea
CID 13636004
1-Cyclohexyl-3-(3-hydroxypropyl)urea
CID 2061174
N-Cyclohexyl-N'-(2-hydroxyethyl)urea
CID 522238
1-Cyclohexyl-3-(5-hydroxy-pentyl)-urea
CID 44307465
3-Cyclohexyl-1,1-bis(2-methoxyethyl)urea
CID 75401832
Urea, 1-cyclohexyl-3-(2-hydroxyethyl)-3-nitroso-
CID 149401
N-Cyclohexyl-N'-(2-(2-hydroxyethoxy)ethyl)urea
CID 4136947
N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 57489402

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea (CID 12696599) is 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea is [2H]C([2H])(CO)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea?
The InChIKey is MJBAEQKACQBEMK-NCYHJHSESA-N. The full InChI is InChI=1S/C9H18N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13)/i6D2.
What are the key properties of 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea?
1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea has a molecular weight of 188.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,1-dideuterio-2-hydroxyethyl)urea is sourced from PubChem (CID 12696599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).