(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide

C22H24N2O2 — CID 124862372

IUPAC(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-23(18-10-6-3-7-11-18)21(25)17-12-13-24(15-17)22(26)20-14-19(20)16-8-4-2-5-9-16/h2-11,17,19-20H,12-15H2,1H3/t17-,19+,20-/m1/s1
InChIKeyMPPWLCRHYDUIQR-YZGWKJHDSA-N
MW348.45 g/mol
LogP3.30
Rot. Bonds4

About (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide

(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide (PubChem CID 124862372) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
PubChem CID124862372
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
SMILESCN(C(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-23(18-10-6-3-7-11-18)21(25)17-12-13-24(15-17)22(26)20-14-19(20)16-8-4-2-5-9-16/h2-11,17,19-20H,12-15H2,1H3/t17-,19+,20-/m1/s1
InChIKeyMPPWLCRHYDUIQR-YZGWKJHDSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-methyl-N-phenyl-1-[(1S,2S)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide
CID 100650532
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125147595
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
(3R)-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124682756
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide (CID 124862372) is (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide is CN(C(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1)c1ccccc1.
What is the InChIKey of (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide?
The InChIKey is MPPWLCRHYDUIQR-YZGWKJHDSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-23(18-10-6-3-7-11-18)21(25)17-12-13-24(15-17)22(26)20-14-19(20)16-8-4-2-5-9-16/h2-11,17,19-20H,12-15H2,1H3/t17-,19+,20-/m1/s1.
What are the key properties of (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide?
(3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-phenyl-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124862372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).