(2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide

C20H24N2O3 — CID 128980047

IUPAC(2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1CN1C[C@@H](OC)C[C@H]1C(N)=O
InChIInChI=1S/C20H24N2O3/c1-24-17-11-18(20(21)23)22(13-17)12-16-10-15(8-9-19(16)25-2)14-6-4-3-5-7-14/h3-10,17-18H,11-13H2,1-2H3,(H2,21,23)/t17-,18-/m0/s1
InChIKeyFQGZCGHXLXFTJJ-ROUUACIJSA-N
MW340.42 g/mol
LogP2.44
Rot. Bonds6

About (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 128980047) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID128980047
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2ccccc2)cc1CN1C[C@@H](OC)C[C@H]1C(N)=O
InChIInChI=1S/C20H24N2O3/c1-24-17-11-18(20(21)23)22(13-17)12-16-10-15(8-9-19(16)25-2)14-6-4-3-5-7-14/h3-10,17-18H,11-13H2,1-2H3,(H2,21,23)/t17-,18-/m0/s1
InChIKeyFQGZCGHXLXFTJJ-ROUUACIJSA-N
XLogP2.44
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-1-[(2-ethylphenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128982159
(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 128979723
(2S,4S)-1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979806
(2S,4S)-1-[(5-bromo-2-chlorophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979984
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255
(2S,4S)-1-[(5-chloroquinolin-8-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979983
(2S,4S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidine-2-carboxamide
CID 128980039
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 128982212
2-(2-methoxy-5-phenylphenyl)ethanimidamide
CID 91757147
1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036450

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide (CID 128980047) is (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide is COc1ccc(-c2ccccc2)cc1CN1C[C@@H](OC)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is FQGZCGHXLXFTJJ-ROUUACIJSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-17-11-18(20(21)23)22(13-17)12-16-10-15(8-9-19(16)25-2)14-6-4-3-5-7-14/h3-10,17-18H,11-13H2,1-2H3,(H2,21,23)/t17-,18-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-[(2-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128980047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).