N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

C21H22N4O4 — CID 113189064

IUPACN,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1
InChIInChI=1S/C21H22N4O4/c1-13(26)22-16-5-3-6-17(10-16)24-21(29)15-9-20(28)25(12-15)19-8-4-7-18(11-19)23-14(2)27/h3-8,10-11,15H,9,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)
InChIKeyFZYUIWWTPVEEAX-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.60
Rot. Bonds5

About N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113189064) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113189064
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1
InChIInChI=1S/C21H22N4O4/c1-13(26)22-16-5-3-6-17(10-16)24-21(29)15-9-20(28)25(12-15)19-8-4-7-18(11-19)23-14(2)27/h3-8,10-11,15H,9,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)
InChIKeyFZYUIWWTPVEEAX-UHFFFAOYSA-N
XLogP2.60
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727068
(3S)-N-(3-acetamidophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438889
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013

Frequently Asked Questions

What is the IUPAC name of N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113189064) is N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1.
What is the InChIKey of N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FZYUIWWTPVEEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13(26)22-16-5-3-6-17(10-16)24-21(29)15-9-20(28)25(12-15)19-8-4-7-18(11-19)23-14(2)27/h3-8,10-11,15H,9,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29).
What are the key properties of N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide?
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113189064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).