1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea

C14H23N3O2 — CID 71781650

IUPAC1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
SMILESCn1cccc1C(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-17-9-5-8-12(17)13(18)10-15-14(19)16-11-6-3-2-4-7-11/h5,8-9,11,13,18H,2-4,6-7,10H2,1H3,(H2,15,16,19)
InChIKeyHJXHQBWGJWUVNA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.69
Rot. Bonds4

About 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea

1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea (PubChem CID 71781650) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
PubChem CID71781650
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
SMILESCn1cccc1C(O)CNC(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-17-9-5-8-12(17)13(18)10-15-14(19)16-11-6-3-2-4-7-11/h5,8-9,11,13,18H,2-4,6-7,10H2,1H3,(H2,15,16,19)
InChIKeyHJXHQBWGJWUVNA-UHFFFAOYSA-N
XLogP1.69
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea (CID 71781650) is 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea is Cn1cccc1C(O)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea?
The InChIKey is HJXHQBWGJWUVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-9-5-8-12(17)13(18)10-15-14(19)16-11-6-3-2-4-7-11/h5,8-9,11,13,18H,2-4,6-7,10H2,1H3,(H2,15,16,19).
What are the key properties of 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea?
1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea has a molecular weight of 265.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea is sourced from PubChem (CID 71781650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).