1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea

C17H26N4O3 — CID 52991180

IUPAC1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(OCC2CCCO2)cc1)NCC1CCNN1
InChIInChI=1S/C17H26N4O3/c22-17(19-11-14-7-8-20-21-14)18-10-13-3-5-15(6-4-13)24-12-16-2-1-9-23-16/h3-6,14,16,20-21H,1-2,7-12H2,(H2,18,19,22)
InChIKeyJJDPRIDPOWVTDY-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.91
Rot. Bonds7

About 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea

1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea (PubChem CID 52991180) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea
PubChem CID52991180
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea
SMILESO=C(NCc1ccc(OCC2CCCO2)cc1)NCC1CCNN1
InChIInChI=1S/C17H26N4O3/c22-17(19-11-14-7-8-20-21-14)18-10-13-3-5-15(6-4-13)24-12-16-2-1-9-23-16/h3-6,14,16,20-21H,1-2,7-12H2,(H2,18,19,22)
InChIKeyJJDPRIDPOWVTDY-UHFFFAOYSA-N
XLogP0.91
TPSA83.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94025132
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7444728
2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide
CID 51949056
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
5-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46481831
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
2-(2-chlorophenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 42961556
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445473
1-(2,5-dimethylpyrazol-3-yl)-3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]urea
CID 94078517

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea?
The IUPAC name of 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea (CID 52991180) is 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea.
What is the SMILES notation for 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea?
The canonical SMILES for 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea is O=C(NCc1ccc(OCC2CCCO2)cc1)NCC1CCNN1.
What is the InChIKey of 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea?
The InChIKey is JJDPRIDPOWVTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-17(19-11-14-7-8-20-21-14)18-10-13-3-5-15(6-4-13)24-12-16-2-1-9-23-16/h3-6,14,16,20-21H,1-2,7-12H2,(H2,18,19,22).
What are the key properties of 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea?
1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea has a molecular weight of 334.42 g/mol, XLogP of 0.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-3-(pyrazolidin-3-ylmethyl)urea is sourced from PubChem (CID 52991180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).