1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea

C17H23ClN2O3 — CID 75438360

IUPAC1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
SMILESO=C(NCC1(O)CCOC1)NCC1(c2ccccc2Cl)CCC1
InChIInChI=1S/C17H23ClN2O3/c18-14-5-2-1-4-13(14)16(6-3-7-16)10-19-15(21)20-11-17(22)8-9-23-12-17/h1-2,4-5,22H,3,6-12H2,(H2,19,20,21)
InChIKeyMCVVZHBTNOVMNR-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.21
Rot. Bonds5

About 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea

1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea (PubChem CID 75438360) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
PubChem CID75438360
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
SMILESO=C(NCC1(O)CCOC1)NCC1(c2ccccc2Cl)CCC1
InChIInChI=1S/C17H23ClN2O3/c18-14-5-2-1-4-13(14)16(6-3-7-16)10-19-15(21)20-11-17(22)8-9-23-12-17/h1-2,4-5,22H,3,6-12H2,(H2,19,20,21)
InChIKeyMCVVZHBTNOVMNR-UHFFFAOYSA-N
XLogP2.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The IUPAC name of 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea (CID 75438360) is 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The canonical SMILES for 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea is O=C(NCC1(O)CCOC1)NCC1(c2ccccc2Cl)CCC1.
What is the InChIKey of 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
The InChIKey is MCVVZHBTNOVMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-14-5-2-1-4-13(14)16(6-3-7-16)10-19-15(21)20-11-17(22)8-9-23-12-17/h1-2,4-5,22H,3,6-12H2,(H2,19,20,21).
What are the key properties of 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea?
1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea has a molecular weight of 338.84 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-chlorophenyl)cyclobutyl]methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea is sourced from PubChem (CID 75438360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).