3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea

C18H22FN3O2 — CID 71869776

IUPAC3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea
SMILESCC(CNC(=O)N(C)C(C)c1ccncc1)Oc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c1-13(24-17-6-4-16(19)5-7-17)12-21-18(23)22(3)14(2)15-8-10-20-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,23)
InChIKeyKGGLTCNQDKNYEJ-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.39
Rot. Bonds6

About 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea

3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea (PubChem CID 71869776) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea
PubChem CID71869776
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea
SMILESCC(CNC(=O)N(C)C(C)c1ccncc1)Oc1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c1-13(24-17-6-4-16(19)5-7-17)12-21-18(23)22(3)14(2)15-8-10-20-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,23)
InChIKeyKGGLTCNQDKNYEJ-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methylurea
CID 94585461
N-[2-(4-methoxyphenoxy)propyl]pyridine-4-carboxamide
CID 71994221
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119804487
N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
CID 71994274
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
1-methyl-3-[3-(pyridin-3-ylamino)propyl]-1-(1-pyridin-4-ylethyl)urea
CID 122569143
1-[(1S)-1-(4-fluorophenyl)ethyl]-1-methyl-3-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 41096953
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571190
methyl (2R)-4-[[(2S)-2-(4-fluorophenoxy)propyl]amino]-2-methyl-4-oxobutanoate
CID 96542660
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea (CID 71869776) is 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea is CC(CNC(=O)N(C)C(C)c1ccncc1)Oc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea?
The InChIKey is KGGLTCNQDKNYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-13(24-17-6-4-16(19)5-7-17)12-21-18(23)22(3)14(2)15-8-10-20-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,23).
What are the key properties of 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea?
3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea has a molecular weight of 331.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)propyl]-1-methyl-1-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 71869776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).