1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea

C20H24N2O5 — CID 113217327

IUPAC1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H24N2O5/c1-13(23)14-5-7-16(8-6-14)22-20(24)21-10-9-15-11-18(26-3)19(27-4)12-17(15)25-2/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,24)
InChIKeyJELNGDYSBYZEEX-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.28
Rot. Bonds8

About 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea

1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217327) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217327
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H24N2O5/c1-13(23)14-5-7-16(8-6-14)22-20(24)21-10-9-15-11-18(26-3)19(27-4)12-17(15)25-2/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,24)
InChIKeyJELNGDYSBYZEEX-UHFFFAOYSA-N
XLogP3.28
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217307
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217348
4-acetamido-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]benzamide
CID 110795325
4-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]benzoic acid
CID 108891296
N'-(4-acetylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 86995908
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
1-(4-acetylphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213810
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (CID 113217327) is 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is JELNGDYSBYZEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(23)14-5-7-16(8-6-14)22-20(24)21-10-9-15-11-18(26-3)19(27-4)12-17(15)25-2/h5-8,11-12H,9-10H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 372.42 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).