1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea

C15H22N2O3 — CID 111428441

IUPAC1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NCc1ccccc1OC1CCC1
InChIInChI=1S/C15H22N2O3/c18-10-4-9-16-15(19)17-11-12-5-1-2-8-14(12)20-13-6-3-7-13/h1-2,5,8,13,18H,3-4,6-7,9-11H2,(H2,16,17,19)
InChIKeyFLVHCNSERSFRSX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.80
Rot. Bonds7

About 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea

1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea (PubChem CID 111428441) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
PubChem CID111428441
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NCc1ccccc1OC1CCC1
InChIInChI=1S/C15H22N2O3/c18-10-4-9-16-15(19)17-11-12-5-1-2-8-14(12)20-13-6-3-7-13/h1-2,5,8,13,18H,3-4,6-7,9-11H2,(H2,16,17,19)
InChIKeyFLVHCNSERSFRSX-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
CID 71917097
1-[(2-cyclopentyloxyphenyl)methyl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 51122736
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-[(2-cyclopentyloxyphenyl)methyl]-3-[(4-methyl-1,3-oxazol-5-yl)methyl]urea
CID 136561160
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709
N-[(2-cyclopentyloxyphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119714426
tert-butyl N-[3-[[N-[(2-cyclobutyloxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111625988
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea (CID 111428441) is 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea is O=C(NCCCO)NCc1ccccc1OC1CCC1.
What is the InChIKey of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea?
The InChIKey is FLVHCNSERSFRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-10-4-9-16-15(19)17-11-12-5-1-2-8-14(12)20-13-6-3-7-13/h1-2,5,8,13,18H,3-4,6-7,9-11H2,(H2,16,17,19).
What are the key properties of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea?
1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea has a molecular weight of 278.35 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111428441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).