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

C19H21N3O4 — CID 113217348

IUPAC1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)c(OC)cc1CCNC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O4/c1-24-16-11-18(26-3)17(25-2)10-14(16)7-8-21-19(23)22-15-6-4-5-13(9-15)12-20/h4-6,9-11H,7-8H2,1-3H3,(H2,21,22,23)
InChIKeyCLTRMORYFPXSKL-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.95
Rot. Bonds7

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

1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217348) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217348
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)c(OC)cc1CCNC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H21N3O4/c1-24-16-11-18(26-3)17(25-2)10-14(16)7-8-21-19(23)22-15-6-4-5-13(9-15)12-20/h4-6,9-11H,7-8H2,1-3H3,(H2,21,22,23)
InChIKeyCLTRMORYFPXSKL-UHFFFAOYSA-N
XLogP2.95
TPSA92.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217307
3-N-(3-cyanophenyl)-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055476
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
CID 11736224
1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217327
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
CID 43428235
1-(3-cyanophenyl)-3-(4-oxopentyl)urea
CID 58032873
1-(3-cyanophenyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 51107741
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (CID 113217348) is 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(OC)c(OC)cc1CCNC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is CLTRMORYFPXSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-24-16-11-18(26-3)17(25-2)10-14(16)7-8-21-19(23)22-15-6-4-5-13(9-15)12-20/h4-6,9-11H,7-8H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 355.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).