(3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H34N2O3 — CID 7858709

IUPAC(3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)CC2=O)cc1
InChIInChI=1S/C25H34N2O3/c1-3-30-22-6-4-21(5-7-22)27-15-20(11-23(27)28)24(29)26-16(2)25-12-17-8-18(13-25)10-19(9-17)14-25/h4-7,16-20H,3,8-15H2,1-2H3,(H,26,29)/t16-,17?,18?,19?,20+,25?/m0/s1
InChIKeyPKINKNYABQLMNL-RHYNSIHASA-N
MW410.56 g/mol
LogP4.16
Rot. Bonds6

About (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7858709) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7858709
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)CC2=O)cc1
InChIInChI=1S/C25H34N2O3/c1-3-30-22-6-4-21(5-7-22)27-15-20(11-23(27)28)24(29)26-16(2)25-12-17-8-18(13-25)10-19(9-17)14-25/h4-7,16-20H,3,8-15H2,1-2H3,(H,26,29)/t16-,17?,18?,19?,20+,25?/m0/s1
InChIKeyPKINKNYABQLMNL-RHYNSIHASA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7553377
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7337440
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46109790
1-(4-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2925121
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7264040
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
1-(4-ethoxyphenyl)-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 18270743
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7858709) is (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2C[C@H](C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)CC2=O)cc1.
What is the InChIKey of (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PKINKNYABQLMNL-RHYNSIHASA-N. The full InChI is InChI=1S/C25H34N2O3/c1-3-30-22-6-4-21(5-7-22)27-15-20(11-23(27)28)24(29)26-16(2)25-12-17-8-18(13-25)10-19(9-17)14-25/h4-7,16-20H,3,8-15H2,1-2H3,(H,26,29)/t16-,17?,18?,19?,20+,25?/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(1-adamantyl)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7858709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).