1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

C19H26N2O4 — CID 111431415

IUPAC1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCC(C)(C)C(O)CNC(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)17(22)11-20-18(23)21-15-7-4-6-14(10-15)12-24-13-16-8-5-9-25-16/h4-10,17,22H,11-13H2,1-3H3,(H2,20,21,23)
InChIKeyNRAKHBPYCHDNRR-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.52
Rot. Bonds7

About 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (PubChem CID 111431415) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
PubChem CID111431415
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCC(C)(C)C(O)CNC(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)17(22)11-20-18(23)21-15-7-4-6-14(10-15)12-24-13-16-8-5-9-25-16/h4-10,17,22H,11-13H2,1-3H3,(H2,20,21,23)
InChIKeyNRAKHBPYCHDNRR-UHFFFAOYSA-N
XLogP3.52
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)propyl]-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819935
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[2-[(S)-methylsulfinyl]ethyl]urea
CID 95630481
1-cyclopropyl-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 51085460
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
3,3,3-trifluoro-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 47048652
3-[3-(furan-2-ylmethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754666
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 55819679
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(methoxymethyl)benzamide
CID 55806662
N-(3-acetylphenyl)-2-[3-(furan-2-ylmethoxymethyl)anilino]propanamide
CID 60542221
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819421

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (CID 111431415) is 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is CC(C)(C)C(O)CNC(=O)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The InChIKey is NRAKHBPYCHDNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)17(22)11-20-18(23)21-15-7-4-6-14(10-15)12-24-13-16-8-5-9-25-16/h4-10,17,22H,11-13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea has a molecular weight of 346.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is sourced from PubChem (CID 111431415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).