1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea

C19H23N3O2 — CID 71917097

IUPAC1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
SMILESO=C(NCCc1ccncc1)NCc1ccccc1OC1CCC1
InChIInChI=1S/C19H23N3O2/c23-19(21-13-10-15-8-11-20-12-9-15)22-14-16-4-1-2-7-18(16)24-17-5-3-6-17/h1-2,4,7-9,11-12,17H,3,5-6,10,13-14H2,(H2,21,22,23)
InChIKeyDZVYRRNLBKCXEY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.05
Rot. Bonds7

About 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea

1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea (PubChem CID 71917097) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
PubChem CID71917097
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea
SMILESO=C(NCCc1ccncc1)NCc1ccccc1OC1CCC1
InChIInChI=1S/C19H23N3O2/c23-19(21-13-10-15-8-11-20-12-9-15)22-14-16-4-1-2-7-18(16)24-17-5-3-6-17/h1-2,4,7-9,11-12,17H,3,5-6,10,13-14H2,(H2,21,22,23)
InChIKeyDZVYRRNLBKCXEY-UHFFFAOYSA-N
XLogP3.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
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
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
1-[(2-cyclobutyloxyphenyl)methyl]-3-(oxan-3-yl)urea
CID 126787197
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 55684140
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea (CID 71917097) is 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea is O=C(NCCc1ccncc1)NCc1ccccc1OC1CCC1.
What is the InChIKey of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea?
The InChIKey is DZVYRRNLBKCXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(21-13-10-15-8-11-20-12-9-15)22-14-16-4-1-2-7-18(16)24-17-5-3-6-17/h1-2,4,7-9,11-12,17H,3,5-6,10,13-14H2,(H2,21,22,23).
What are the key properties of 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea?
1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea has a molecular weight of 325.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclobutyloxyphenyl)methyl]-3-(2-pyridin-4-ylethyl)urea is sourced from PubChem (CID 71917097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).