(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide

C20H22N2O3 — CID 99834604

IUPAC(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-3-2-4-7-15)25-17-11-9-16(10-12-17)20(24)22-13-5-8-18(22)19(21)23/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H2,21,23)/t14-,18+/m1/s1
InChIKeyBFCCDRGJSYCXNE-KDOFPFPSSA-N
MW338.41 g/mol
LogP2.92
Rot. Bonds5

About (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide

(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 99834604) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
PubChem CID99834604
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-14(15-6-3-2-4-7-15)25-17-11-9-16(10-12-17)20(24)22-13-5-8-18(22)19(21)23/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H2,21,23)/t14-,18+/m1/s1
InChIKeyBFCCDRGJSYCXNE-KDOFPFPSSA-N
XLogP2.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-[(1S)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 99834603
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
methyl (2S)-1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
CID 908743
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
1-naphthalen-1-ylethyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 10948739
2-(2-carbamoylpyrrolidine-1-carbonyl)benzoic acid
CID 43396532
2-methylpropyl 1-benzoylpiperidine-2-carboxylate
CID 100995685
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
(2S)-1-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 124830013

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide (CID 99834604) is (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide is C[C@@H](Oc1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1)c1ccccc1.
What is the InChIKey of (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is BFCCDRGJSYCXNE-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(15-6-3-2-4-7-15)25-17-11-9-16(10-12-17)20(24)22-13-5-8-18(22)19(21)23/h2-4,6-7,9-12,14,18H,5,8,13H2,1H3,(H2,21,23)/t14-,18+/m1/s1.
What are the key properties of (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide?
(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 99834604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).