1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea

C18H20N2O3 — CID 110706756

IUPAC1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)NC1CCCO1
InChIInChI=1S/C18H20N2O3/c21-18(20-17-7-4-12-22-17)19-15-8-10-16(11-9-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H2,19,20,21)
InChIKeyJPIVPJSZAUXSBJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.52
Rot. Bonds5

About 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea

1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 110706756) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID110706756
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)NC1CCCO1
InChIInChI=1S/C18H20N2O3/c21-18(20-17-7-4-12-22-17)19-15-8-10-16(11-9-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H2,19,20,21)
InChIKeyJPIVPJSZAUXSBJ-UHFFFAOYSA-N
XLogP3.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
CID 110706796
1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 8022384
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
1-(4-tert-butylphenyl)-3-(oxolan-2-yl)urea
CID 110706706
1-[(3S,3aR,6S,6aR)-3-cyano-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(4-phenylmethoxyphenyl)urea
CID 126613284
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)-3-(4-phenylmethoxyphenyl)urea
CID 3759520
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea (CID 110706756) is 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea is O=C(Nc1ccc(OCc2ccccc2)cc1)NC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is JPIVPJSZAUXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(20-17-7-4-12-22-17)19-15-8-10-16(11-9-15)23-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H2,19,20,21).
What are the key properties of 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea?
1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 312.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 110706756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).