1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea

C16H20N2O4 — CID 121132993

IUPAC1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
SMILESCCOc1ccccc1NC(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C16H20N2O4/c1-2-22-15-6-4-3-5-13(15)18-16(20)17-9-7-14(19)12-8-10-21-11-12/h3-6,8,10-11,14,19H,2,7,9H2,1H3,(H2,17,18,20)
InChIKeyHQKGHZSBFFENTK-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.92
Rot. Bonds7

About 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea

1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea (PubChem CID 121132993) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
PubChem CID121132993
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
SMILESCCOc1ccccc1NC(=O)NCCC(O)c1ccoc1
InChIInChI=1S/C16H20N2O4/c1-2-22-15-6-4-3-5-13(15)18-16(20)17-9-7-14(19)12-8-10-21-11-12/h3-6,8,10-11,14,19H,2,7,9H2,1H3,(H2,17,18,20)
InChIKeyHQKGHZSBFFENTK-UHFFFAOYSA-N
XLogP2.92
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
2-ethoxy-N-[3-(furan-3-yl)-3-hydroxypropyl]benzamide
CID 71804415
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
CID 112973367
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
1-[3-(2-ethoxyphenyl)propyl]-3-(2-methoxyphenyl)urea
CID 100747319
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea (CID 121132993) is 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea is CCOc1ccccc1NC(=O)NCCC(O)c1ccoc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea?
The InChIKey is HQKGHZSBFFENTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-22-15-6-4-3-5-13(15)18-16(20)17-9-7-14(19)12-8-10-21-11-12/h3-6,8,10-11,14,19H,2,7,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea?
1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea has a molecular weight of 304.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea is sourced from PubChem (CID 121132993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).