1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C16H23FN2O3 — CID 111438037

IUPAC1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCCCCOc1ccc(F)cc1)NCC1(O)CCC1
InChIInChI=1S/C16H23FN2O3/c17-13-4-6-14(7-5-13)22-11-2-1-10-18-15(20)19-12-16(21)8-3-9-16/h4-7,21H,1-3,8-12H2,(H2,18,19,20)
InChIKeyOVZFVFQCDLIUJN-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.20
Rot. Bonds8

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

1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 111438037) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID111438037
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESO=C(NCCCCOc1ccc(F)cc1)NCC1(O)CCC1
InChIInChI=1S/C16H23FN2O3/c17-13-4-6-14(7-5-13)22-11-2-1-10-18-15(20)19-12-16(21)8-3-9-16/h4-7,21H,1-3,8-12H2,(H2,18,19,20)
InChIKeyOVZFVFQCDLIUJN-UHFFFAOYSA-N
XLogP2.20
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-fluorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60605473
2-(4-fluorophenoxy)-N-[(1-hydroxycyclobutyl)methyl]-2-methylpropanamide
CID 115643394
4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115668822
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[3-(4-fluorophenoxy)propyl]urea
CID 60601729
4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111560556
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437572
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104191

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 111438037) is 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea is O=C(NCCCCOc1ccc(F)cc1)NCC1(O)CCC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is OVZFVFQCDLIUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c17-13-4-6-14(7-5-13)22-11-2-1-10-18-15(20)19-12-16(21)8-3-9-16/h4-7,21H,1-3,8-12H2,(H2,18,19,20).
What are the key properties of 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 310.37 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)butyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 111438037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).