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

C13H15N3O2 — CID 115619734

IUPAC1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C13H15N3O2/c14-8-10-2-4-11(5-3-10)16-12(17)15-9-13(18)6-1-7-13/h2-5,18H,1,6-7,9H2,(H2,15,16,17)
InChIKeyXAPAENFPVBPZEN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.59
Rot. Bonds3

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

1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 115619734) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID115619734
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESN#Cc1ccc(NC(=O)NCC2(O)CCC2)cc1
InChIInChI=1S/C13H15N3O2/c14-8-10-2-4-11(5-3-10)16-12(17)15-9-13(18)6-1-7-13/h2-5,18H,1,6-7,9H2,(H2,15,16,17)
InChIKeyXAPAENFPVBPZEN-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-aminocyclohexyl)methyl]-3-(4-cyanophenyl)urea
CID 61300035
1-[(1-hydroxycyclobutyl)methyl]-3-pyridin-4-ylurea
CID 111112659
1-(1-adamantylmethyl)-3-(4-cyanophenyl)urea
CID 108870350
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437572
1-(4-cyanophenyl)-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 38281830
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62522293
1-(4-cyanophenyl)-3-[1-(hydroxymethyl)cyclohexyl]urea
CID 62520959
3-(4-cyanophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111333105
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea (CID 115619734) is 1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea is N#Cc1ccc(NC(=O)NCC2(O)CCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is XAPAENFPVBPZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-8-10-2-4-11(5-3-10)16-12(17)15-9-13(18)6-1-7-13/h2-5,18H,1,6-7,9H2,(H2,15,16,17).
What are the key properties of 1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea?
1-(4-cyanophenyl)-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 245.28 g/mol, XLogP of 1.59, 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-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 115619734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).