[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C23H25FN2O5 — CID 29408242

IUPAC[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H25FN2O5/c1-3-25(14-16-6-11-20(30-2)19(24)13-16)22(28)15-31-23(29)17-7-9-18(10-8-17)26-12-4-5-21(26)27/h6-11,13H,3-5,12,14-15H2,1-2H3
InChIKeyHVQZIMVUQACSIP-UHFFFAOYSA-N
MW428.46 g/mol
LogP3.17
Rot. Bonds8

About [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 29408242) has the molecular formula C23H25FN2O5 and a molecular weight of 428.46 g/mol. Its IUPAC name is [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID29408242
Molecular FormulaC23H25FN2O5
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H25FN2O5/c1-3-25(14-16-6-11-20(30-2)19(24)13-16)22(28)15-31-23(29)17-7-9-18(10-8-17)26-12-4-5-21(26)27/h6-11,13H,3-5,12,14-15H2,1-2H3
InChIKeyHVQZIMVUQACSIP-UHFFFAOYSA-N
XLogP3.17
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate with MolForge

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Related Compounds

[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8807783
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
CID 55332539
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 2127028
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
[2-(N-methylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952974
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078972

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 29408242) is [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is CCN(Cc1ccc(OC)c(F)c1)C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is HVQZIMVUQACSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5/c1-3-25(14-16-6-11-20(30-2)19(24)13-16)22(28)15-31-23(29)17-7-9-18(10-8-17)26-12-4-5-21(26)27/h6-11,13H,3-5,12,14-15H2,1-2H3.
What are the key properties of [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 428.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 29408242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).