1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea

C20H25N3O2 — CID 47032789

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCOc1ccccc1CCNC(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H25N3O2/c1-25-19-11-5-2-8-16(19)12-13-21-20(24)22-17-9-3-4-10-18(17)23-14-6-7-15-23/h2-5,8-11H,6-7,12-15H2,1H3,(H2,21,22,24)
InChIKeyDCLOOWGVLNUODE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.66
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea

1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea (PubChem CID 47032789) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
PubChem CID47032789
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
SMILESCOc1ccccc1CCNC(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C20H25N3O2/c1-25-19-11-5-2-8-16(19)12-13-21-20(24)22-17-9-3-4-10-18(17)23-14-6-7-15-23/h2-5,8-11H,6-7,12-15H2,1H3,(H2,21,22,24)
InChIKeyDCLOOWGVLNUODE-UHFFFAOYSA-N
XLogP3.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 110606666
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CID 110622524
1-(3-hydroxy-4-methylpentyl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111473354
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
1-[2-(2-methoxyphenyl)ethyl]-3-(2-phenylsulfanylphenyl)urea
CID 108899866
3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 109022218
N-[2-(2-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226480
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea (CID 47032789) is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea is COc1ccccc1CCNC(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
The InChIKey is DCLOOWGVLNUODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-11-5-2-8-16(19)12-13-21-20(24)22-17-9-3-4-10-18(17)23-14-6-7-15-23/h2-5,8-11H,6-7,12-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea is sourced from PubChem (CID 47032789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).