1-cyclobutyl-3-(4-methoxybutyl)urea

C10H20N2O2 — CID 84519072

IUPAC1-cyclobutyl-3-(4-methoxybutyl)urea
SMILESCOCCCCNC(=O)NC1CCC1
InChIInChI=1S/C10H20N2O2/c1-14-8-3-2-7-11-10(13)12-9-5-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyJOXZFEXVENVEGP-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds6

About 1-cyclobutyl-3-(4-methoxybutyl)urea

1-cyclobutyl-3-(4-methoxybutyl)urea (PubChem CID 84519072) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methoxybutyl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methoxybutyl)urea
PubChem CID84519072
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-cyclobutyl-3-(4-methoxybutyl)urea
SMILESCOCCCCNC(=O)NC1CCC1
InChIInChI=1S/C10H20N2O2/c1-14-8-3-2-7-11-10(13)12-9-5-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13)
InChIKeyJOXZFEXVENVEGP-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
1-cyclobutyl-3-(3-hydroxypropyl)urea
CID 115642270
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-methoxyethyl)acetamide
CID 113053206
1-cyclobutyl-3-(3-methoxypropyl)thiourea
CID 115617445
1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
CID 108894366
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide
CID 108942501
2-(cyclopentylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 38170461
1-cyclobutyl-3-(3-methylsulfonylpropyl)urea
CID 115617843
1-cyclohexyl-3-(3-ethenoxypropyl)urea
CID 103601350
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
2-(3-methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817862
2-(cyclobutylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 116657734

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methoxybutyl)urea?
The IUPAC name of 1-cyclobutyl-3-(4-methoxybutyl)urea (CID 84519072) is 1-cyclobutyl-3-(4-methoxybutyl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(4-methoxybutyl)urea?
The canonical SMILES for 1-cyclobutyl-3-(4-methoxybutyl)urea is COCCCCNC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(4-methoxybutyl)urea?
The InChIKey is JOXZFEXVENVEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-14-8-3-2-7-11-10(13)12-9-5-4-6-9/h9H,2-8H2,1H3,(H2,11,12,13).
What are the key properties of 1-cyclobutyl-3-(4-methoxybutyl)urea?
1-cyclobutyl-3-(4-methoxybutyl)urea has a molecular weight of 200.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methoxybutyl)urea is sourced from PubChem (CID 84519072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).