1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea

C13H15N3O2 — CID 66005873

IUPAC1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCC2CC(O)C2)cc1
InChIInChI=1S/C13H15N3O2/c14-7-9-1-3-11(4-2-9)16-13(18)15-8-10-5-12(17)6-10/h1-4,10,12,17H,5-6,8H2,(H2,15,16,18)
InChIKeyFHXGLOPUPYMZOH-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.45
Rot. Bonds3

About 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea

1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea (PubChem CID 66005873) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea
PubChem CID66005873
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCC2CC(O)C2)cc1
InChIInChI=1S/C13H15N3O2/c14-7-9-1-3-11(4-2-9)16-13(18)15-8-10-5-12(17)6-10/h1-4,10,12,17H,5-6,8H2,(H2,15,16,18)
InChIKeyFHXGLOPUPYMZOH-UHFFFAOYSA-N
XLogP1.45
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantylmethyl)-3-(4-cyanophenyl)urea
CID 108870350
1-(4-cyanophenyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 47070312
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 115619734
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-(4-cyanophenyl)urea
CID 52513610
1-(4-cyanophenyl)-3-(4-oxopentyl)urea
CID 58032855
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
1-(4-cyanophenyl)-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 47090168
1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94798536
1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea (CID 66005873) is 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea is N#Cc1ccc(NC(=O)NCC2CC(O)C2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea?
The InChIKey is FHXGLOPUPYMZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-9-1-3-11(4-2-9)16-13(18)15-8-10-5-12(17)6-10/h1-4,10,12,17H,5-6,8H2,(H2,15,16,18).
What are the key properties of 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea?
1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea has a molecular weight of 245.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 66005873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).