1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea

C20H26N2O4 — CID 108869610

IUPAC1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C20H26N2O4/c1-5-24-17-12-16(13-18(25-6-2)19(17)26-7-3)22-20(23)21-15-10-8-14(4)9-11-15/h8-13H,5-7H2,1-4H3,(H2,21,22,23)
InChIKeyYTCZJVDWQMUKOC-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.84
Rot. Bonds8

About 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea

1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea (PubChem CID 108869610) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
PubChem CID108869610
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC
InChIInChI=1S/C20H26N2O4/c1-5-24-17-12-16(13-18(25-6-2)19(17)26-7-3)22-20(23)21-15-10-8-14(4)9-11-15/h8-13H,5-7H2,1-4H3,(H2,21,22,23)
InChIKeyYTCZJVDWQMUKOC-UHFFFAOYSA-N
XLogP4.84
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
4-[(3,4,5-triethoxyphenyl)carbamoylamino]benzenesulfonic acid
CID 108869615
N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869808
1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869783
1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869698
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3,4,5-triethoxybenzoate
CID 7852024
1-[(2-methylphenyl)methyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869935
1-[4-(diethylamino)-2-methylphenyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869898
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
1-(2-nitrophenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869608
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 26798129

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea (CID 108869610) is 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea is CCOc1cc(NC(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC.
What is the InChIKey of 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
The InChIKey is YTCZJVDWQMUKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-5-24-17-12-16(13-18(25-6-2)19(17)26-7-3)22-20(23)21-15-10-8-14(4)9-11-15/h8-13H,5-7H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea?
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea has a molecular weight of 358.44 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea is sourced from PubChem (CID 108869610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).