3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

C19H26N2O4 — CID 111754666

IUPAC3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1cccc(COCc2ccco2)c1)C(C)C
InChIInChI=1S/C19H26N2O4/c1-14(2)21(11-15(3)22)19(23)20-17-7-4-6-16(10-17)12-24-13-18-8-5-9-25-18/h4-10,14-15,22H,11-13H2,1-3H3,(H,20,23)
InChIKeyKOXZWSFCYPICPD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.62
Rot. Bonds8

About 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea

3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 111754666) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
PubChem CID111754666
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(O)CN(C(=O)Nc1cccc(COCc2ccco2)c1)C(C)C
InChIInChI=1S/C19H26N2O4/c1-14(2)21(11-15(3)22)19(23)20-17-7-4-6-16(10-17)12-24-13-18-8-5-9-25-18/h4-10,14-15,22H,11-13H2,1-3H3,(H,20,23)
InChIKeyKOXZWSFCYPICPD-UHFFFAOYSA-N
XLogP3.62
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 55819422
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 60542221
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431415
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
(2R)-N-carbamoyl-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 94643107
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
N-[3-(furan-2-ylmethoxymethyl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55806853
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
N-[1-[3-(furan-2-ylmethoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55932538
2-(2,6-dichlorophenyl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
CID 52656585
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea (CID 111754666) is 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea is CC(O)CN(C(=O)Nc1cccc(COCc2ccco2)c1)C(C)C.
What is the InChIKey of 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is KOXZWSFCYPICPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(2)21(11-15(3)22)19(23)20-17-7-4-6-16(10-17)12-24-13-18-8-5-9-25-18/h4-10,14-15,22H,11-13H2,1-3H3,(H,20,23).
What are the key properties of 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea?
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 346.43 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 111754666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).