1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

C24H28N2O3 — CID 18098159

IUPAC1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-29-21-13-11-19(12-14-21)22-5-3-16-26(22)24(28)20-9-7-18(8-10-20)17-25-15-4-6-23(25)27/h7-14,22H,2-6,15-17H2,1H3
InChIKeyTYQGAKILZDRHSZ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.18
Rot. Bonds6

About 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 18098159) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID18098159
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(CN3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-29-21-13-11-19(12-14-21)22-5-3-16-26(22)24(28)20-9-7-18(8-10-20)17-25-15-4-6-23(25)27/h7-14,22H,2-6,15-17H2,1H3
InChIKeyTYQGAKILZDRHSZ-UHFFFAOYSA-N
XLogP4.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(diethylaminomethyl)phenyl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55667905
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
1-[[4-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124595392
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxyphenyl)methanone
CID 25491169
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018618
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 94080642
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 41135388

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 18098159) is 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is CCOc1ccc(C2CCCN2C(=O)c2ccc(CN3CCCC3=O)cc2)cc1.
What is the InChIKey of 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is TYQGAKILZDRHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-29-21-13-11-19(12-14-21)22-5-3-16-26(22)24(28)20-9-7-18(8-10-20)17-25-15-4-6-23(25)27/h7-14,22H,2-6,15-17H2,1H3.
What are the key properties of 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 18098159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).