N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C22H25N3O2 — CID 140698374

IUPACN-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C22H25N3O2/c26-21(20-9-5-15-25(20)22(27)19-8-4-14-23-19)24-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20,23H,4-5,8-9,14-15H2,(H,24,26)/t19-,20?/m0/s1
InChIKeyBJRKXBDOYAWOBS-XJDOXCRVSA-N
MW363.46 g/mol
LogP3.04
Rot. Bonds4

About N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 140698374) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID140698374
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C22H25N3O2/c26-21(20-9-5-15-25(20)22(27)19-8-4-14-23-19)24-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20,23H,4-5,8-9,14-15H2,(H,24,26)/t19-,20?/m0/s1
InChIKeyBJRKXBDOYAWOBS-XJDOXCRVSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 140698366
2-phenyl-1-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 160707821
(2S)-N-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93376645
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
(2S)-N-cyclopropyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93369523
(2S)-N-(4-methoxyphenyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 40805739
(2S)-N-[2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1-[(2R)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 90045900
(2R)-N-(3,5-diphenylphenyl)pyrrolidine-2-carboxamide
CID 121274963
(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 53300637
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 140698374) is N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)C1CCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is BJRKXBDOYAWOBS-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(20-9-5-15-25(20)22(27)19-8-4-14-23-19)24-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-3,6-7,10-13,19-20,23H,4-5,8-9,14-15H2,(H,24,26)/t19-,20?/m0/s1.
What are the key properties of N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 140698374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).