1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea

C14H28N2O — CID 22749900

IUPAC1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea
SMILESCCC(C)N(CC(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C14H28N2O/c1-5-12(4)16(10-11(2)3)14(17)15-13-8-6-7-9-13/h11-13H,5-10H2,1-4H3,(H,15,17)
InChIKeyOWFMJDZWRQTJQO-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.40
Rot. Bonds5

About 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea

1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea (PubChem CID 22749900) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea
PubChem CID22749900
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea
SMILESCCC(C)N(CC(C)C)C(=O)NC1CCCC1
InChIInChI=1S/C14H28N2O/c1-5-12(4)16(10-11(2)3)14(17)15-13-8-6-7-9-13/h11-13H,5-10H2,1-4H3,(H,15,17)
InChIKeyOWFMJDZWRQTJQO-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexyl-3-isobutylurea
CID 4323939
N-butyl-N'-cyclopentylurea
CID 4150224
N,N'-Dicyclopentylurea
CID 13812604
3-Cyclohexyl-1,1-diethylurea
CID 4338720
3-Cyclohexyl-1,1-dipropylurea
CID 5093082
3-Cyclohexyl-1,1-dibutylurea
CID 3398150
3-Cyclohexyl-1,1-diisobutylurea
CID 4078219
N,N-di-sec-butyl-N'-cyclohexylurea
CID 6467938
N-Hexyl-N'-propan-2-ylurea
CID 23264656
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
N-Cyclopentyl-N'-methylurea
CID 13428331
N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 57968813

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea?
The IUPAC name of 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea (CID 22749900) is 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea?
The canonical SMILES for 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea is CCC(C)N(CC(C)C)C(=O)NC1CCCC1.
What is the InChIKey of 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea?
The InChIKey is OWFMJDZWRQTJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-12(4)16(10-11(2)3)14(17)15-13-8-6-7-9-13/h11-13H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea?
1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea has a molecular weight of 240.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-cyclopentyl-1-(2-methylpropyl)urea is sourced from PubChem (CID 22749900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).