N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H30N2O4 — CID 55578035

IUPACN-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)c1
InChIInChI=1S/C23H30N2O4/c1-28-18-3-4-20(29-2)19(9-18)25-13-17(8-21(25)26)22(27)24-23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,9,14-17H,5-8,10-13H2,1-2H3,(H,24,27)
InChIKeyBRVULFKJMXTRBY-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.14
Rot. Bonds5

About N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55578035) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55578035
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(N2CC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)c1
InChIInChI=1S/C23H30N2O4/c1-28-18-3-4-20(29-2)19(9-18)25-13-17(8-21(25)26)22(27)24-23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,9,14-17H,5-8,10-13H2,1-2H3,(H,24,27)
InChIKeyBRVULFKJMXTRBY-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386
methyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9395060
1-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84504606
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838
(3S)-N-(1-adamantyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25485796
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
(3S)-N-[(1R)-1-cyclopropylethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30838843
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46587267
(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882
(3R)-1-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94039761

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55578035) is N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(OC)c(N2CC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2=O)c1.
What is the InChIKey of N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BRVULFKJMXTRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-28-18-3-4-20(29-2)19(9-18)25-13-17(8-21(25)26)22(27)24-23-10-14-5-15(11-23)7-16(6-14)12-23/h3-4,9,14-17H,5-8,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55578035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).