1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea

C14H16N2O4 — CID 970043

IUPAC1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C14H16N2O4/c1-18-12-6-5-10(8-13(12)19-2)16-14(17)15-9-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H2,15,16,17)
InChIKeyWHEGMUCSUPSTPD-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.62
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea

1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea (PubChem CID 970043) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea
PubChem CID970043
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2ccco2)cc1OC
InChIInChI=1S/C14H16N2O4/c1-18-12-6-5-10(8-13(12)19-2)16-14(17)15-9-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H2,15,16,17)
InChIKeyWHEGMUCSUPSTPD-UHFFFAOYSA-N
XLogP2.62
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Furan-2-ylmethyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273628
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide
CID 734541
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 1566650
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 2162339
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 2461510
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
1-(Furan-2-ylmethyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 2954756
N-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2982164
2-N-(furan-2-ylmethyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221395
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 6461351
N-[3-(3,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
CID 9403695
1-(Furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 239709

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea (CID 970043) is 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea is COc1ccc(NC(=O)NCc2ccco2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea?
The InChIKey is WHEGMUCSUPSTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-12-6-5-10(8-13(12)19-2)16-14(17)15-9-11-4-3-7-20-11/h3-8H,9H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea?
1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea has a molecular weight of 276.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 970043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).