N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C21H23N3O4 — CID 55610242

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O4/c1-2-22-19(25)14-28-18-10-8-16(9-11-18)23-21(27)15-12-20(26)24(13-15)17-6-4-3-5-7-17/h3-11,15H,2,12-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyCOTTVPFZKVPSTM-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.19
Rot. Bonds7

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 55610242) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID55610242
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCNC(=O)COc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O4/c1-2-22-19(25)14-28-18-10-8-16(9-11-18)23-21(27)15-12-20(26)24(13-15)17-6-4-3-5-7-17/h3-11,15H,2,12-14H2,1H3,(H,22,25)(H,23,27)
InChIKeyCOTTVPFZKVPSTM-UHFFFAOYSA-N
XLogP2.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301
(3R)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29130407
(3R)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 124585167
(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976963
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
(3S)-1-[4-[2-(4-ethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 126130235
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 55610242) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCNC(=O)COc1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is COTTVPFZKVPSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-2-22-19(25)14-28-18-10-8-16(9-11-18)23-21(27)15-12-20(26)24(13-15)17-6-4-3-5-7-17/h3-11,15H,2,12-14H2,1H3,(H,22,25)(H,23,27).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55610242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).