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

C18H29N3O2 — CID 110622524

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
SMILESCOc1ccccc1CCNC(=O)NCC(C)(C)N1CCCC1
InChIInChI=1S/C18H29N3O2/c1-18(2,21-12-6-7-13-21)14-20-17(22)19-11-10-15-8-4-5-9-16(15)23-3/h4-5,8-9H,6-7,10-14H2,1-3H3,(H2,19,20,22)
InChIKeyPIVJAOKCJFLETJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.41
Rot. Bonds7

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

1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea (PubChem CID 110622524) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
PubChem CID110622524
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
SMILESCOc1ccccc1CCNC(=O)NCC(C)(C)N1CCCC1
InChIInChI=1S/C18H29N3O2/c1-18(2,21-12-6-7-13-21)14-20-17(22)19-11-10-15-8-4-5-9-16(15)23-3/h4-5,8-9H,6-7,10-14H2,1-3H3,(H2,19,20,22)
InChIKeyPIVJAOKCJFLETJ-UHFFFAOYSA-N
XLogP2.41
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110622652
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
1-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110630022
1-[2-(2-methoxyphenyl)ethyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47032789
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 111120840
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
1-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 42934547
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38202597
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 51291075
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea (CID 110622524) is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea is COc1ccccc1CCNC(=O)NCC(C)(C)N1CCCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea?
The InChIKey is PIVJAOKCJFLETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,21-12-6-7-13-21)14-20-17(22)19-11-10-15-8-4-5-9-16(15)23-3/h4-5,8-9H,6-7,10-14H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.41, 7 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-methyl-2-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 110622524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).