(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide

C26H30N2O2 — CID 92609663

IUPAC(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC23CCC3)C1
InChIInChI=1S/C26H30N2O2/c1-27-24(30)26(14-15-28(18-26)23(29)22-17-25(22)12-7-13-25)16-20-10-5-6-11-21(20)19-8-3-2-4-9-19/h2-6,8-11,22H,7,12-18H2,1H3,(H,27,30)/t22-,26-/m1/s1
InChIKeyLYAUFGGLIZFCEE-ATIYNZHBSA-N
MW402.54 g/mol
LogP4.05
Rot. Bonds5

About (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide

(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 92609663) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
PubChem CID92609663
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC23CCC3)C1
InChIInChI=1S/C26H30N2O2/c1-27-24(30)26(14-15-28(18-26)23(29)22-17-25(22)12-7-13-25)16-20-10-5-6-11-21(20)19-8-3-2-4-9-19/h2-6,8-11,22H,7,12-18H2,1H3,(H,27,30)/t22-,26-/m1/s1
InChIKeyLYAUFGGLIZFCEE-ATIYNZHBSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(2-phenylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)pyrrolidine-3-carboxamide
CID 110230856
(3R)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609672
(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586242
N,N-dimethyl-4-[(2-pyridin-4-ylphenyl)methyl]-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxamide
CID 110083446
(3S)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609697
(3R)-1-(cyclopropanecarbonyl)-N-methyl-3-[[2-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 92558381
(3R)-N-prop-2-enyl-3-[(2-pyridin-4-ylphenyl)methyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-3-carboxamide
CID 92548543
(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92605155
(3S)-1-(2-cyclopentylacetyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609711
(3R)-1-(2-cyclohexylacetyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609716
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609342
(3R)-1-[(2R)-oxane-2-carbonyl]-3-[(2-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579797

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide (CID 92609663) is (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC23CCC3)C1.
What is the InChIKey of (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is LYAUFGGLIZFCEE-ATIYNZHBSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-27-24(30)26(14-15-28(18-26)23(29)22-17-25(22)12-7-13-25)16-20-10-5-6-11-21(20)19-8-3-2-4-9-19/h2-6,8-11,22H,7,12-18H2,1H3,(H,27,30)/t22-,26-/m1/s1.
What are the key properties of (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide?
(3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-[(2-phenylphenyl)methyl]-1-[(2S)-spiro[2.3]hexane-2-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92609663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).