1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea

C23H32N2O4 — CID 108869694

IUPAC1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NC(C)c2ccc(CC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H32N2O4/c1-6-17-10-12-18(13-11-17)16(5)24-23(26)25-19-14-20(27-7-2)22(29-9-4)21(15-19)28-8-3/h10-16H,6-9H2,1-5H3,(H2,24,25,26)
InChIKeyFGFOLQGAOMILRM-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.33
Rot. Bonds10

About 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea

1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea (PubChem CID 108869694) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
PubChem CID108869694
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)NC(C)c2ccc(CC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H32N2O4/c1-6-17-10-12-18(13-11-17)16(5)24-23(26)25-19-14-20(27-7-2)22(29-9-4)21(15-19)28-8-3/h10-16H,6-9H2,1-5H3,(H2,24,25,26)
InChIKeyFGFOLQGAOMILRM-UHFFFAOYSA-N
XLogP5.33
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 7288794
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510959
[3-[1-(4-ethylphenyl)ethylcarbamoylamino]phenyl] acetate
CID 108865137
3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-[1-(4-ethylphenyl)ethyl]prop-2-enamide
CID 108848538
1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
1-[1-(4-methylphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 87008929

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea?
The IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea (CID 108869694) is 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea is CCOc1cc(NC(=O)NC(C)c2ccc(CC)cc2)cc(OCC)c1OCC.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea?
The InChIKey is FGFOLQGAOMILRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-6-17-10-12-18(13-11-17)16(5)24-23(26)25-19-14-20(27-7-2)22(29-9-4)21(15-19)28-8-3/h10-16H,6-9H2,1-5H3,(H2,24,25,26).
What are the key properties of 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea?
1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea has a molecular weight of 400.52 g/mol, XLogP of 5.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea is sourced from PubChem (CID 108869694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).