1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea

C19H28N2O4 — CID 166301536

IUPAC1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCCc1cc(OC)c(OCC2CCC2)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-4-9-20-19(22)21-10-8-15-11-16(23-2)18(17(12-15)24-3)25-13-14-6-5-7-14/h4,11-12,14H,1,5-10,13H2,2-3H3,(H2,20,21,22)
InChIKeyJPFGUKKPZVKSLI-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.91
Rot. Bonds10

About 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea

1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea (PubChem CID 166301536) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea
PubChem CID166301536
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NCCc1cc(OC)c(OCC2CCC2)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-4-9-20-19(22)21-10-8-15-11-16(23-2)18(17(12-15)24-3)25-13-14-6-5-7-14/h4,11-12,14H,1,5-10,13H2,2-3H3,(H2,20,21,22)
InChIKeyJPFGUKKPZVKSLI-UHFFFAOYSA-N
XLogP2.91
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea 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

3-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethylamino]propanamide
CID 167806025
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(1R,3R)-3-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 94855250
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 61342425
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
5-(bromomethyl)-1-chloro-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65456921
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
1-chloro-5-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65460365
5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
1-[(E)-2-cyclopropylethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108915719

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea?
The IUPAC name of 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea (CID 166301536) is 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea is C=CCNC(=O)NCCc1cc(OC)c(OCC2CCC2)c(OC)c1.
What is the InChIKey of 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea?
The InChIKey is JPFGUKKPZVKSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-9-20-19(22)21-10-8-15-11-16(23-2)18(17(12-15)24-3)25-13-14-6-5-7-14/h4,11-12,14H,1,5-10,13H2,2-3H3,(H2,20,21,22).
What are the key properties of 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea?
1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea has a molecular weight of 348.44 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]ethyl]-3-prop-2-enylurea is sourced from PubChem (CID 166301536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).