1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea

C16H20N2O4 — CID 111619159

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea
SMILESO=C(NCCOCc1ccccc1)NCC(O)c1ccco1
InChIInChI=1S/C16H20N2O4/c19-14(15-7-4-9-22-15)11-18-16(20)17-8-10-21-12-13-5-2-1-3-6-13/h1-7,9,14,19H,8,10-12H2,(H2,17,18,20)
InChIKeyWBDJBKZMVBTJLF-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.83
Rot. Bonds8

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea (PubChem CID 111619159) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea
PubChem CID111619159
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea
SMILESO=C(NCCOCc1ccccc1)NCC(O)c1ccco1
InChIInChI=1S/C16H20N2O4/c19-14(15-7-4-9-22-15)11-18-16(20)17-8-10-21-12-13-5-2-1-3-6-13/h1-7,9,14,19H,8,10-12H2,(H2,17,18,20)
InChIKeyWBDJBKZMVBTJLF-UHFFFAOYSA-N
XLogP1.83
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110896232
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
1-(2-ethoxyethyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937061
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508519
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 110896235
(1R,2S)-2-diphenylphosphoryl-1-(furan-2-yl)-4-phenylmethoxybutan-1-ol
CID 10647028
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111507783
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 110912943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea (CID 111619159) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea is O=C(NCCOCc1ccccc1)NCC(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea?
The InChIKey is WBDJBKZMVBTJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-14(15-7-4-9-22-15)11-18-16(20)17-8-10-21-12-13-5-2-1-3-6-13/h1-7,9,14,19H,8,10-12H2,(H2,17,18,20).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea has a molecular weight of 304.35 g/mol, XLogP of 1.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-phenylmethoxyethyl)urea is sourced from PubChem (CID 111619159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).