1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C17H25N3O4 — CID 47070585

IUPAC1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCOc1ccc(OC)c(CCNC(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H25N3O4/c1-23-14-5-6-15(24-2)13(11-14)7-8-18-17(22)19-12-16(21)20-9-3-4-10-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,18,19,22)
InChIKeyYXBALUPGEVZEMN-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.17
Rot. Bonds7

About 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 47070585) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID47070585
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCOc1ccc(OC)c(CCNC(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C17H25N3O4/c1-23-14-5-6-15(24-2)13(11-14)7-8-18-17(22)19-12-16(21)20-9-3-4-10-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,18,19,22)
InChIKeyYXBALUPGEVZEMN-UHFFFAOYSA-N
XLogP1.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
ethyl 4-[2-[2-(2-methoxyphenyl)ethylcarbamoylamino]acetyl]piperazine-1-carboxylate
CID 110625494
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119705593
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
1-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279781
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 47070585) is 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is COc1ccc(OC)c(CCNC(=O)NCC(=O)N2CCCC2)c1.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is YXBALUPGEVZEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-23-14-5-6-15(24-2)13(11-14)7-8-18-17(22)19-12-16(21)20-9-3-4-10-20/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 335.40 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 47070585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).