(2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide

C31H32F6N2O4 — CID 143689230

IUPAC(2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide
SMILESCOCC[C@@H]1CCCN1C(=O)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C31H32F6N2O4/c1-41-17-15-25-12-7-16-39(25)28(40)38-21-29(20-22-8-3-2-4-9-22,23-10-5-13-26(18-23)42-30(32,33)34)24-11-6-14-27(19-24)43-31(35,36)37/h2-6,8-11,13-14,18-19,25H,7,12,15-17,20-21H2,1H3,(H,38,40)/t25-/m0/s1
InChIKeyGLMDRJPTTLQYRO-VWLOTQADSA-N
MW610.60 g/mol
LogP7.22
Rot. Bonds11

About (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide

(2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide (PubChem CID 143689230) has the molecular formula C31H32F6N2O4 and a molecular weight of 610.60 g/mol. Its IUPAC name is (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide
PubChem CID143689230
Molecular FormulaC31H32F6N2O4
Molecular Weight610.60 g/mol
Exact Mass610.23
IUPAC Name(2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide
SMILESCOCC[C@@H]1CCCN1C(=O)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C31H32F6N2O4/c1-41-17-15-25-12-7-16-39(25)28(40)38-21-29(20-22-8-3-2-4-9-22,23-10-5-13-26(18-23)42-30(32,33)34)24-11-6-14-27(19-24)43-31(35,36)37/h2-6,8-11,13-14,18-19,25H,7,12,15-17,20-21H2,1H3,(H,38,40)/t25-/m0/s1
InChIKeyGLMDRJPTTLQYRO-VWLOTQADSA-N
XLogP7.22
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.60
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192939
1-cyclopentyl-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 59192651
2-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]propanamide
CID 59192724
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 89265915
3-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]butanamide
CID 59192657
4-chloro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266060
1-[(3R)-2-oxooxolan-3-yl]-3-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]urea
CID 59192897
3-fluoro-5-methyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 59192902
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-1,2-oxazole-5-carboxamide
CID 59192843
4-methylsulfonyl-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 89266000
but-3-enyl N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]carbamate
CID 59192919
1-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 89266013

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide (CID 143689230) is (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide is COCC[C@@H]1CCCN1C(=O)NCC(Cc1ccccc1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide?
The InChIKey is GLMDRJPTTLQYRO-VWLOTQADSA-N. The full InChI is InChI=1S/C31H32F6N2O4/c1-41-17-15-25-12-7-16-39(25)28(40)38-21-29(20-22-8-3-2-4-9-22,23-10-5-13-26(18-23)42-30(32,33)34)24-11-6-14-27(19-24)43-31(35,36)37/h2-6,8-11,13-14,18-19,25H,7,12,15-17,20-21H2,1H3,(H,38,40)/t25-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide?
(2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide has a molecular weight of 610.60 g/mol, XLogP of 7.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyethyl)-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 143689230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).