(2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C15H22N2O2 — CID 66995375

IUPAC(2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCOC1CC[C@@H](C(=O)NCCc2ccccc2)N1C
InChIInChI=1S/C15H22N2O2/c1-17-13(8-9-14(17)19-2)15(18)16-11-10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,16,18)/t13-,14?/m0/s1
InChIKeyXZLAZKWKTVLZLN-LSLKUGRBSA-N
MW262.35 g/mol
LogP1.41
Rot. Bonds5

About (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

(2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 66995375) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID66995375
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCOC1CC[C@@H](C(=O)NCCc2ccccc2)N1C
InChIInChI=1S/C15H22N2O2/c1-17-13(8-9-14(17)19-2)15(18)16-11-10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,16,18)/t13-,14?/m0/s1
InChIKeyXZLAZKWKTVLZLN-LSLKUGRBSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-methyl-2-oxo-N-(2-phenylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851820
1-amino-N-(2-phenylethyl)pyrrolidine-2-carboxamide;methyl formate
CID 171509767
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 39855260
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
1-benzyl-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110614844
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
(2S,3S)-3-(2-phenylethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 11922543

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 66995375) is (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is COC1CC[C@@H](C(=O)NCCc2ccccc2)N1C.
What is the InChIKey of (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is XZLAZKWKTVLZLN-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-13(8-9-14(17)19-2)15(18)16-11-10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,16,18)/t13-,14?/m0/s1.
What are the key properties of (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
(2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-1-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 66995375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).