(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C17H25N3O2 — CID 95045652

IUPAC(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCCC1
InChIInChI=1S/C17H25N3O2/c1-22-16-9-3-2-8-15(16)18-17(21)20-12-6-7-14(20)13-19-10-4-5-11-19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyGNCHEPBKXRYKGS-CQSZACIVSA-N
MW303.41 g/mol
LogP2.79
Rot. Bonds4

About (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 95045652) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID95045652
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCCC1
InChIInChI=1S/C17H25N3O2/c1-22-16-9-3-2-8-15(16)18-17(21)20-12-6-7-14(20)13-19-10-4-5-11-19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyGNCHEPBKXRYKGS-CQSZACIVSA-N
XLogP2.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 47075835
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
N-(2-methoxyphenyl)-3-(piperidin-1-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90568974
N-(2-methoxyphenyl)-2-(2-oxopropyl)pyrrolidine-1-carboxamide
CID 79547105
N-(2-methoxyphenyl)-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316424
N-(2-methylsulfonylphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136523972
(2S)-N-[2-(dimethylamino)phenyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95634923
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
2-(benzenesulfonylmethyl)-N-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 90585805
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 95045652) is (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC[C@@H]1CN1CCCC1.
What is the InChIKey of (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is GNCHEPBKXRYKGS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-22-16-9-3-2-8-15(16)18-17(21)20-12-6-7-14(20)13-19-10-4-5-11-19/h2-3,8-9,14H,4-7,10-13H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95045652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).