1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea

C20H34N4O2 — CID 110622652

IUPAC1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCCN1CCN(C(C)(C)CNC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C20H34N4O2/c1-5-23-12-14-24(15-13-23)20(2,3)16-22-19(25)21-11-10-17-8-6-7-9-18(17)26-4/h6-9H,5,10-16H2,1-4H3,(H2,21,22,25)
InChIKeyJFOJYBWLYWQSHH-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.95
Rot. Bonds8

About 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea

1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 110622652) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID110622652
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCCN1CCN(C(C)(C)CNC(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C20H34N4O2/c1-5-23-12-14-24(15-13-23)20(2,3)16-22-19(25)21-11-10-17-8-6-7-9-18(17)26-4/h6-9H,5,10-16H2,1-4H3,(H2,21,22,25)
InChIKeyJFOJYBWLYWQSHH-UHFFFAOYSA-N
XLogP1.95
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 110622524
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111120840
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
1-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110630022
ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
CID 110625494
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109104558
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38202597
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 42934547
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106262032

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 110622652) is 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea is CCN1CCN(C(C)(C)CNC(=O)NCCc2ccccc2OC)CC1.
What is the InChIKey of 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is JFOJYBWLYWQSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-5-23-12-14-24(15-13-23)20(2,3)16-22-19(25)21-11-10-17-8-6-7-9-18(17)26-4/h6-9H,5,10-16H2,1-4H3,(H2,21,22,25).
What are the key properties of 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 362.52 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 110622652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).