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

C27H33N3O3 — CID 92592202

IUPAC(3R)-N-ethyl-1-[(3S)-1-ethyl-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(CC)C2)C1
InChIInChI=1S/C27H33N3O3/c1-3-28-26(33)27(17-21-12-8-9-13-23(21)20-10-6-5-7-11-20)14-15-30(19-27)25(32)22-16-24(31)29(4-2)18-22/h5-13,22H,3-4,14-19H2,1-2H3,(H,28,33)/t22-,27-/m0/s1
InChIKeyWZMDZLCDGGPXET-CUNXSJBXSA-N
MW447.58 g/mol
LogP3.12
Rot. Bonds7

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

(3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92592202) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92592202
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name(3R)-N-ethyl-1-[(3S)-1-ethyl-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(CC)C2)C1
InChIInChI=1S/C27H33N3O3/c1-3-28-26(33)27(17-21-12-8-9-13-23(21)20-10-6-5-7-11-20)14-15-30(19-27)25(32)22-16-24(31)29(4-2)18-22/h5-13,22H,3-4,14-19H2,1-2H3,(H,28,33)/t22-,27-/m0/s1
InChIKeyWZMDZLCDGGPXET-CUNXSJBXSA-N
XLogP3.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-ethyl-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592198
(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
N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232027
(3R)-1-(cyclopropanecarbonyl)-N-ethyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92591833
(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-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92592202) is (3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[(3S)-1-ethyl-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(CC)C2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is WZMDZLCDGGPXET-CUNXSJBXSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-3-28-26(33)27(17-21-12-8-9-13-23(21)20-10-6-5-7-11-20)14-15-30(19-27)25(32)22-16-24(31)29(4-2)18-22/h5-13,22H,3-4,14-19H2,1-2H3,(H,28,33)/t22-,27-/m0/s1.
What are the key properties of (3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-N-ethyl-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.12, 7 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-ethyl-5-oxopyrrolidine-3-carbonyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92592202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).