1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea

C16H24N2O2 — CID 122559038

IUPAC1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
SMILESCCC(C)Oc1cccc(CNC(=O)NC2CCC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-12(2)20-15-9-4-6-13(10-15)11-17-16(19)18-14-7-5-8-14/h4,6,9-10,12,14H,3,5,7-8,11H2,1-2H3,(H2,17,18,19)
InChIKeyGYXIRMKMNCUQIN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds6

About 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea

1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea (PubChem CID 122559038) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
PubChem CID122559038
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
SMILESCCC(C)Oc1cccc(CNC(=O)NC2CCC2)c1
InChIInChI=1S/C16H24N2O2/c1-3-12(2)20-15-9-4-6-13(10-15)11-17-16(19)18-14-7-5-8-14/h4,6,9-10,12,14H,3,5,7-8,11H2,1-2H3,(H2,17,18,19)
InChIKeyGYXIRMKMNCUQIN-UHFFFAOYSA-N
XLogP3.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[3-[(2S)-butan-2-yl]oxyphenyl]methyl]-3-cyclobutylurea
CID 125437513
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 86943213
1-[(3-butan-2-yloxyphenyl)methylamino]propan-2-ol
CID 54849301
N,N-dimethyl-2-[3-[[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
CID 94805828
N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
CID 94805831
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
N-[[3-[(2R)-butan-2-yl]oxyphenyl]methyl]-2-[carbamoyl(methyl)amino]acetamide
CID 126442109
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea?
The IUPAC name of 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea (CID 122559038) is 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea.
What is the SMILES notation for 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea?
The canonical SMILES for 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea is CCC(C)Oc1cccc(CNC(=O)NC2CCC2)c1.
What is the InChIKey of 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea?
The InChIKey is GYXIRMKMNCUQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-12(2)20-15-9-4-6-13(10-15)11-17-16(19)18-14-7-5-8-14/h4,6,9-10,12,14H,3,5,7-8,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea?
1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea has a molecular weight of 276.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea is sourced from PubChem (CID 122559038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).