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

C20H24N2O3 — CID 128979723

IUPAC(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C20H24N2O3/c1-24-17-11-18(20(21)23)22(13-17)12-16-9-5-6-10-19(16)25-14-15-7-3-2-4-8-15/h2-10,17-18H,11-14H2,1H3,(H2,21,23)/t17-,18-/m0/s1
InChIKeyXFQXQKKNBQCFCO-ROUUACIJSA-N
MW340.42 g/mol
LogP2.34
Rot. Bonds7

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

(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 128979723) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID128979723
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ccccc2OCc2ccccc2)C1
InChIInChI=1S/C20H24N2O3/c1-24-17-11-18(20(21)23)22(13-17)12-16-9-5-6-10-19(16)25-14-15-7-3-2-4-8-15/h2-10,17-18H,11-14H2,1H3,(H2,21,23)/t17-,18-/m0/s1
InChIKeyXFQXQKKNBQCFCO-ROUUACIJSA-N
XLogP2.34
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.34
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-methoxy-5-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 128980047
(2S,4S)-4-methoxy-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979752
(2S,4S)-1-[(2-bromo-5-fluorophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979806
(2S,4S)-4-methoxy-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979882
2-[(2S)-1-[(2-phenylmethoxyphenyl)methyl]piperidin-2-yl]acetamide
CID 97157820
(2S,4S)-1-[(5-bromo-2-chlorophenyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979984
(2S,4S)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128980014
(2S,4S)-1-[(5-chloroquinolin-8-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 128979983
2-[4-methoxy-2-(2-phenylacetyl)pyrrolidin-1-yl]acetic acid
CID 176893436
(2S,4S)-4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 128979840
(2S,4S)-1-[2-(2,3-dichlorophenyl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 128982212

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 128979723) is (2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccccc2OCc2ccccc2)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is XFQXQKKNBQCFCO-ROUUACIJSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-17-11-18(20(21)23)22(13-17)12-16-9-5-6-10-19(16)25-14-15-7-3-2-4-8-15/h2-10,17-18H,11-14H2,1H3,(H2,21,23)/t17-,18-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.34, 7 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-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128979723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).