1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea

C17H22N2O4 — CID 111566530

IUPAC1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCOCC(NC(=O)NCCC(O)c1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O4/c1-22-12-14(16-8-5-11-23-16)19-17(21)18-10-9-15(20)13-6-3-2-4-7-13/h2-8,11,14-15,20H,9-10,12H2,1H3,(H2,18,19,21)
InChIKeyGGWYBGYRTMEMKA-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.39
Rot. Bonds8

About 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea

1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea (PubChem CID 111566530) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
PubChem CID111566530
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
SMILESCOCC(NC(=O)NCCC(O)c1ccccc1)c1ccco1
InChIInChI=1S/C17H22N2O4/c1-22-12-14(16-8-5-11-23-16)19-17(21)18-10-9-15(20)13-6-3-2-4-7-13/h2-8,11,14-15,20H,9-10,12H2,1H3,(H2,18,19,21)
InChIKeyGGWYBGYRTMEMKA-UHFFFAOYSA-N
XLogP2.39
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-3-[3-(furan-2-yl)-3-hydroxypropyl]urea
CID 71787781
1-(3-hydroxy-4-methylpentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111505801
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
1-(3-hydroxy-3-phenylpropyl)-3-(1-pyridin-4-ylpropyl)urea
CID 111506991
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea
CID 97091397
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97067035
1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865843
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865664
1-(2-hydroxypentyl)-3-(2-methoxy-1-phenylethyl)urea
CID 111338426
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4-hydroxycyclohexyl)urea
CID 111566418
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea (CID 111566530) is 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea is COCC(NC(=O)NCCC(O)c1ccccc1)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea?
The InChIKey is GGWYBGYRTMEMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-12-14(16-8-5-11-23-16)19-17(21)18-10-9-15(20)13-6-3-2-4-7-13/h2-8,11,14-15,20H,9-10,12H2,1H3,(H2,18,19,21).
What are the key properties of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea?
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea has a molecular weight of 318.37 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 111566530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).