1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea

C15H18N2O4 — CID 121132989

IUPAC1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCC(O)c2ccoc2)cc1
InChIInChI=1S/C15H18N2O4/c1-20-13-4-2-12(3-5-13)17-15(19)16-8-6-14(18)11-7-9-21-10-11/h2-5,7,9-10,14,18H,6,8H2,1H3,(H2,16,17,19)
InChIKeyCQIKFZHEKJLMCF-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.53
Rot. Bonds6

About 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea

1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea (PubChem CID 121132989) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
PubChem CID121132989
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCC(O)c2ccoc2)cc1
InChIInChI=1S/C15H18N2O4/c1-20-13-4-2-12(3-5-13)17-15(19)16-8-6-14(18)11-7-9-21-10-11/h2-5,7,9-10,14,18H,6,8H2,1H3,(H2,16,17,19)
InChIKeyCQIKFZHEKJLMCF-UHFFFAOYSA-N
XLogP2.53
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea (CID 121132989) is 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCCC(O)c2ccoc2)cc1.
What is the InChIKey of 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea?
The InChIKey is CQIKFZHEKJLMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-13-4-2-12(3-5-13)17-15(19)16-8-6-14(18)11-7-9-21-10-11/h2-5,7,9-10,14,18H,6,8H2,1H3,(H2,16,17,19).
What are the key properties of 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea?
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea has a molecular weight of 290.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 121132989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).