1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea

C15H19N3O2 — CID 166405797

IUPAC1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea
SMILESCN1Cc2c(NC(=O)NCC3CCC3)cccc2C1=O
InChIInChI=1S/C15H19N3O2/c1-18-9-12-11(14(18)19)6-3-7-13(12)17-15(20)16-8-10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,16,17,20)
InChIKeyWIVIYDPCKXYMOE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds3

About 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea

1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea (PubChem CID 166405797) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea
PubChem CID166405797
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea
SMILESCN1Cc2c(NC(=O)NCC3CCC3)cccc2C1=O
InChIInChI=1S/C15H19N3O2/c1-18-9-12-11(14(18)19)6-3-7-13(12)17-15(20)16-8-10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,16,17,20)
InChIKeyWIVIYDPCKXYMOE-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
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5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
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1-[(3-hydroxycyclohexyl)methyl]-3-(2-propylphenyl)urea
CID 111473593
(3S,3aS,7aR)-N-(2-methyl-1-oxo-3H-isoindol-4-yl)-3-phenyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole-1-carboxamide
CID 129347988

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea (CID 166405797) is 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea is CN1Cc2c(NC(=O)NCC3CCC3)cccc2C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea?
The InChIKey is WIVIYDPCKXYMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-9-12-11(14(18)19)6-3-7-13(12)17-15(20)16-8-10-4-2-5-10/h3,6-7,10H,2,4-5,8-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea?
1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea has a molecular weight of 273.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea is sourced from PubChem (CID 166405797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).