(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide

C26H32N2O3 — CID 92558271

IUPAC(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)[C@H]4CCCO4)C3)c2)cc1
InChIInChI=1S/C26H32N2O3/c1-19-9-11-21(12-10-19)22-7-4-6-20(16-22)17-26(25(30)27(2)3)13-14-28(18-26)24(29)23-8-5-15-31-23/h4,6-7,9-12,16,23H,5,8,13-15,17-18H2,1-3H3/t23-,26-/m1/s1
InChIKeyPHYPUERJXBTSBC-ZEQKJWHPSA-N
MW420.55 g/mol
LogP3.69
Rot. Bonds5

About (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide

(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 92558271) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide
PubChem CID92558271
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)[C@H]4CCCO4)C3)c2)cc1
InChIInChI=1S/C26H32N2O3/c1-19-9-11-21(12-10-19)22-7-4-6-20(16-22)17-26(25(30)27(2)3)13-14-28(18-26)24(29)23-8-5-15-31-23/h4,6-7,9-12,16,23H,5,8,13-15,17-18H2,1-3H3/t23-,26-/m1/s1
InChIKeyPHYPUERJXBTSBC-ZEQKJWHPSA-N
XLogP3.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(2R)-N,N-dimethyl-2-[[4-(3-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 92561023
N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
CID 110243390
(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 95848940
N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110229677
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92569611
N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 110243961
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92569685
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084041
(3S)-N,N-dimethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92560568
N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110243400
1-(cyclopropanecarbonyl)-N,N-dimethyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 95805742
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide (CID 92558271) is (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide is Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCN(C(=O)[C@H]4CCCO4)C3)c2)cc1.
What is the InChIKey of (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is PHYPUERJXBTSBC-ZEQKJWHPSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-19-9-11-21(12-10-19)22-7-4-6-20(16-22)17-26(25(30)27(2)3)13-14-28(18-26)24(29)23-8-5-15-31-23/h4,6-7,9-12,16,23H,5,8,13-15,17-18H2,1-3H3/t23-,26-/m1/s1.
What are the key properties of (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide?
(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92558271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).