(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C26H31N3O3 — CID 92592198

IUPAC(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1
InChIInChI=1S/C26H31N3O3/c1-3-27-25(32)26(13-14-29(18-26)24(31)21-15-23(30)28(2)17-21)16-20-11-7-8-12-22(20)19-9-5-4-6-10-19/h4-12,21H,3,13-18H2,1-2H3,(H,27,32)/t21-,26-/m0/s1
InChIKeyLTOVIMIRDQTAIR-LVXARBLLSA-N
MW433.55 g/mol
LogP2.73
Rot. Bonds6

About (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92592198) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92592198
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1
InChIInChI=1S/C26H31N3O3/c1-3-27-25(32)26(13-14-29(18-26)24(31)21-15-23(30)28(2)17-21)16-20-11-7-8-12-22(20)19-9-5-4-6-10-19/h4-12,21H,3,13-18H2,1-2H3,(H,27,32)/t21-,26-/m0/s1
InChIKeyLTOVIMIRDQTAIR-LVXARBLLSA-N
XLogP2.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592202
(3R)-N-ethyl-1-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591819
1-(cyclobutanecarbonyl)-N-ethyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110230948
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232027
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672
1-(cyclopentanecarbonyl)-N-ethyl-3-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231007
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585170
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448
1-(3,3-dimethylbutanoyl)-N-ethyl-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129459434
(3R)-1-(cyclopentanecarbonyl)-N-ethyl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592262
(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-ethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592364

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92592198) is (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is LTOVIMIRDQTAIR-LVXARBLLSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-3-27-25(32)26(13-14-29(18-26)24(31)21-15-23(30)28(2)17-21)16-20-11-7-8-12-22(20)19-9-5-4-6-10-19/h4-12,21H,3,13-18H2,1-2H3,(H,27,32)/t21-,26-/m0/s1.
What are the key properties of (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92592198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).