1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea

C12H24N2O2 — CID 95622179

IUPAC1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea
SMILESCCC(CC)[C@@H](O)CNC(=O)NC1CCC1
InChIInChI=1S/C12H24N2O2/c1-3-9(4-2)11(15)8-13-12(16)14-10-6-5-7-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)/t11-/m0/s1
InChIKeyNGBUBJQQQUNGFO-NSHDSACASA-N
MW228.34 g/mol
LogP1.64
Rot. Bonds6

About 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea

1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea (PubChem CID 95622179) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea
PubChem CID95622179
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea
SMILESCCC(CC)[C@@H](O)CNC(=O)NC1CCC1
InChIInChI=1S/C12H24N2O2/c1-3-9(4-2)11(15)8-13-12(16)14-10-6-5-7-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)/t11-/m0/s1
InChIKeyNGBUBJQQQUNGFO-NSHDSACASA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea?
The IUPAC name of 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea (CID 95622179) is 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea is CCC(CC)[C@@H](O)CNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea?
The InChIKey is NGBUBJQQQUNGFO-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9(4-2)11(15)8-13-12(16)14-10-6-5-7-10/h9-11,15H,3-8H2,1-2H3,(H2,13,14,16)/t11-/m0/s1.
What are the key properties of 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea?
1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea has a molecular weight of 228.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[(2R)-3-ethyl-2-hydroxypentyl]urea is sourced from PubChem (CID 95622179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).