2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

C25H32N2O3 — CID 46965959

IUPAC2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccccc1C1(NCc2ccc(OCC(=O)N3CCCC3)cc2)CCCC1
InChIInChI=1S/C25H32N2O3/c1-29-23-9-3-2-8-22(23)25(14-4-5-15-25)26-18-20-10-12-21(13-11-20)30-19-24(28)27-16-6-7-17-27/h2-3,8-13,26H,4-7,14-19H2,1H3
InChIKeyWMFJEWJKQUJNPQ-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.26
Rot. Bonds8

About 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 46965959) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID46965959
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCOc1ccccc1C1(NCc2ccc(OCC(=O)N3CCCC3)cc2)CCCC1
InChIInChI=1S/C25H32N2O3/c1-29-23-9-3-2-8-22(23)25(14-4-5-15-25)26-18-20-10-12-21(13-11-20)30-19-24(28)27-16-6-7-17-27/h2-3,8-13,26H,4-7,14-19H2,1H3
InChIKeyWMFJEWJKQUJNPQ-UHFFFAOYSA-N
XLogP4.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 46965958
2-[4-[[[1-(2-fluorophenyl)cyclopentyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 16673462
1-[4-[2-(2-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 108547925
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
2-(4-ethoxyphenyl)-1-[4-[2-(2-methoxyphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108547169
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 4637289
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
methyl 4-[2-(azetidin-1-yl)-2-oxoethoxy]benzoate
CID 60743515
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone;2-(trifluoromethoxy)phenol
CID 164905979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 46965959) is 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is COc1ccccc1C1(NCc2ccc(OCC(=O)N3CCCC3)cc2)CCCC1.
What is the InChIKey of 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is WMFJEWJKQUJNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-29-23-9-3-2-8-22(23)25(14-4-5-15-25)26-18-20-10-12-21(13-11-20)30-19-24(28)27-16-6-7-17-27/h2-3,8-13,26H,4-7,14-19H2,1H3.
What are the key properties of 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 408.54 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(2-methoxyphenyl)cyclopentyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 46965959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).