1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea

C15H18N2O4 — CID 108868367

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccco2)cc1OC
InChIInChI=1S/C15H18N2O4/c1-19-12-6-5-11(10-13(12)20-2)7-8-16-15(18)17-14-4-3-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyDXYSCDVRBIBKKE-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea (PubChem CID 108868367) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
PubChem CID108868367
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea
SMILESCOc1ccc(CCNC(=O)Nc2ccco2)cc1OC
InChIInChI=1S/C15H18N2O4/c1-19-12-6-5-11(10-13(12)20-2)7-8-16-15(18)17-14-4-3-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18)
InChIKeyDXYSCDVRBIBKKE-UHFFFAOYSA-N
XLogP2.66
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]phenyl]furan-2-carboxamide
CID 32521036
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrimidin-2-ylurea
CID 108891346
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891349
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(furan-2-ylmethyl)propanediamide
CID 108945055
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
1-benzhydryl-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 41327613

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea (CID 108868367) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea is COc1ccc(CCNC(=O)Nc2ccco2)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea?
The InChIKey is DXYSCDVRBIBKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-12-6-5-11(10-13(12)20-2)7-8-16-15(18)17-14-4-3-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea has a molecular weight of 290.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-yl)urea is sourced from PubChem (CID 108868367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).