1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide

C23H30N4O4 — CID 55672653

IUPAC1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC2(c3noc(C)n3)CCCCCC2)CC1=O
InChIInChI=1S/C23H30N4O4/c1-3-30-19-11-7-6-10-18(19)27-15-17(14-20(27)28)21(29)25-23(12-8-4-5-9-13-23)22-24-16(2)31-26-22/h6-7,10-11,17H,3-5,8-9,12-15H2,1-2H3,(H,25,29)
InChIKeyDVOHJKVSSGWWKL-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.50
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55672653) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55672653
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC2(c3noc(C)n3)CCCCCC2)CC1=O
InChIInChI=1S/C23H30N4O4/c1-3-30-19-11-7-6-10-18(19)27-15-17(14-20(27)28)21(29)25-23(12-8-4-5-9-13-23)22-24-16(2)31-26-22/h6-7,10-11,17H,3-5,8-9,12-15H2,1-2H3,(H,25,29)
InChIKeyDVOHJKVSSGWWKL-UHFFFAOYSA-N
XLogP3.50
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55621973
1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
CID 55672487
ethyl 1-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55969086
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 30182120
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
(3R)-N-(2,3-dimethylphenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2599596
(3S)-1-(2-ethoxyphenyl)-5-oxo-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 32838691
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide (CID 55672653) is 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NC2(c3noc(C)n3)CCCCCC2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DVOHJKVSSGWWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-3-30-19-11-7-6-10-18(19)27-15-17(14-20(27)28)21(29)25-23(12-8-4-5-9-13-23)22-24-16(2)31-26-22/h6-7,10-11,17H,3-5,8-9,12-15H2,1-2H3,(H,25,29).
What are the key properties of 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55672653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).