N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide

C21H23N3O3 — CID 119032269

IUPACN-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Cc1ccccc1)NCC(=O)N1CCCC1C(=O)Nc1ccccc1
InChIInChI=1S/C21H23N3O3/c25-19(14-16-8-3-1-4-9-16)22-15-20(26)24-13-7-12-18(24)21(27)23-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,22,25)(H,23,27)
InChIKeyRHCLMKDOXSTKJV-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.98
Rot. Bonds6

About N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide

N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 119032269) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID119032269
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESO=C(Cc1ccccc1)NCC(=O)N1CCCC1C(=O)Nc1ccccc1
InChIInChI=1S/C21H23N3O3/c25-19(14-16-8-3-1-4-9-16)22-15-20(26)24-13-7-12-18(24)21(27)23-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,22,25)(H,23,27)
InChIKeyRHCLMKDOXSTKJV-UHFFFAOYSA-N
XLogP1.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825
(2S)-N-[4-[2-(4-benzamidophenyl)ethenyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 91593146
(2S)-N-[4-[(E)-2-(4-benzamidophenyl)ethenyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 58768832
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
(2S)-1-(2-phenylacetyl)-N-[4-[5-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 58533068
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
1-(2-phenylacetyl)-N-(3-piperidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 47727451
N-[4-[2-(dimethylamino)ethyl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136523262
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide (CID 119032269) is N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide is O=C(Cc1ccccc1)NCC(=O)N1CCCC1C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is RHCLMKDOXSTKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19(14-16-8-3-1-4-9-16)22-15-20(26)24-13-7-12-18(24)21(27)23-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,22,25)(H,23,27).
What are the key properties of N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119032269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).