(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide

C14H20N2O2 — CID 25179151

IUPAC(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1
InChIInChI=1S/C14H20N2O2/c1-16(2)14(17)13-8-12(9-15-13)18-10-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyUFNYDYWSTGKRRJ-OLZOCXBDSA-N
MW248.33 g/mol
LogP1.02
Rot. Bonds4

About (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide

(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 25179151) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
PubChem CID25179151
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1
InChIInChI=1S/C14H20N2O2/c1-16(2)14(17)13-8-12(9-15-13)18-10-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyUFNYDYWSTGKRRJ-OLZOCXBDSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenylmethoxypiperidine-2-carboxylic acid
CID 83646959
4-methoxy-N-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 61215235
(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
CID 71204325
(3S,4S)-5,5,5-trifluoro-4-hydroxy-1-[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]-3-propan-2-ylpentan-1-one
CID 149221455
(2S)-N-(naphthalen-1-ylmethyl)-4-phenylmethoxypyrrolidine-2-carboxamide
CID 70341122
(2S,4R)-N-benzyl-4-[(4-bromo-2-fluorophenyl)methoxy]-N-ethylpyrrolidine-2-carboxamide
CID 59765413
(2S)-4-(2-phenylethoxy)pyrrolidine-2-carboxylic acid
CID 70059420
2-methyl-5-[(2S,4R)-4-phenylmethoxypyrrolidine-2-carbonyl]oxypyrrolidine-2-carboxylic acid
CID 134383704
(2S,4S)-4-[(2-methylphenyl)methoxy]pyrrolidine-2-carboxylic acid
CID 168737449
4-phenylmethoxy-2-propan-2-ylpyrrolidine
CID 23588974
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
CID 86642923
(2S,4R)-4-(4-phenylbutoxy)pyrrolidine-2-carboxylic acid
CID 137347871

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide (CID 25179151) is (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1.
What is the InChIKey of (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide?
The InChIKey is UFNYDYWSTGKRRJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(2)14(17)13-8-12(9-15-13)18-10-11-6-4-3-5-7-11/h3-7,12-13,15H,8-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide?
(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 25179151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).