N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide

C25H30N2O3 — CID 110229733

IUPACN-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOCC(=O)N1CCC(Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H30N2O3/c1-18-6-8-20(9-7-18)21-5-3-4-19(14-21)15-25(24(29)26-22-10-11-22)12-13-27(17-25)23(28)16-30-2/h3-9,14,22H,10-13,15-17H2,1-2H3,(H,26,29)
InChIKeyAHCQPZZROPBYDP-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.35
Rot. Bonds7

About N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 110229733) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID110229733
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOCC(=O)N1CCC(Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H30N2O3/c1-18-6-8-20(9-7-18)21-5-3-4-19(14-21)15-25(24(29)26-22-10-11-22)12-13-27(17-25)23(28)16-30-2/h3-9,14,22H,10-13,15-17H2,1-2H3,(H,26,29)
InChIKeyAHCQPZZROPBYDP-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-4-(2-methoxyacetyl)-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92558344
(3R)-N-tert-butyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)pyrrolidine-3-carboxamide
CID 92552252
1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 110243852
1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229548
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986
(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
N-cyclopropyl-1-(3,3-dimethylbutanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231447
(3S)-N-cyclopropyl-1-(3,3-dimethylbutanoyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92552127
N-ethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 110245826
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584975
3-[[3-(4-methylphenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110229728
(3S)-1-(2-methoxyacetyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92579626

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 110229733) is N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide is COCC(=O)N1CCC(Cc2cccc(-c3ccc(C)cc3)c2)(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is AHCQPZZROPBYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18-6-8-20(9-7-18)21-5-3-4-19(14-21)15-25(24(29)26-22-10-11-22)12-13-27(17-25)23(28)16-30-2/h3-9,14,22H,10-13,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-methoxyacetyl)-3-[[3-(4-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).