(2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide

C22H25N3O2 — CID 95138449

IUPAC(2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C
InChIInChI=1S/C22H25N3O2/c1-15(2)27-21-11-10-17(14-23)13-19(21)24-22(26)25-12-6-9-20(25)18-8-5-4-7-16(18)3/h4-5,7-8,10-11,13,15,20H,6,9,12H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyDIWQXHCHRMWUKI-HXUWFJFHSA-N
MW363.46 g/mol
LogP5.02
Rot. Bonds4

About (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide

(2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 95138449) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID95138449
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C
InChIInChI=1S/C22H25N3O2/c1-15(2)27-21-11-10-17(14-23)13-19(21)24-22(26)25-12-6-9-20(25)18-8-5-4-7-16(18)3/h4-5,7-8,10-11,13,15,20H,6,9,12H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyDIWQXHCHRMWUKI-HXUWFJFHSA-N
XLogP5.02
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 94080933
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
(2S)-1-[(5-cyano-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62105065
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea
CID 75398088
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
CID 94867549

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide (CID 95138449) is (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1OC(C)C.
What is the InChIKey of (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is DIWQXHCHRMWUKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)27-21-11-10-17(14-23)13-19(21)24-22(26)25-12-6-9-20(25)18-8-5-4-7-16(18)3/h4-5,7-8,10-11,13,15,20H,6,9,12H2,1-3H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide?
(2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95138449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).