1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C23H33N3O4 — CID 55603057

IUPAC1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(C3CCOC3)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C23H33N3O4/c1-2-17-3-5-20(6-4-17)26-15-19(13-22(26)27)23(28)24-14-21(18-7-10-30-16-18)25-8-11-29-12-9-25/h3-6,18-19,21H,2,7-16H2,1H3,(H,24,28)
InChIKeyYGTMVZMLAHCYGG-UHFFFAOYSA-N
MW415.53 g/mol
LogP1.46
Rot. Bonds7

About 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55603057) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55603057
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NCC(C3CCOC3)N3CCOCC3)CC2=O)cc1
InChIInChI=1S/C23H33N3O4/c1-2-17-3-5-20(6-4-17)26-15-19(13-22(26)27)23(28)24-14-21(18-7-10-30-16-18)25-8-11-29-12-9-25/h3-6,18-19,21H,2,7-16H2,1H3,(H,24,28)
InChIKeyYGTMVZMLAHCYGG-UHFFFAOYSA-N
XLogP1.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55603184
1-(2,5-dimethoxyphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55642286
1-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 4878243
(3R)-1-(4-ethylphenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 26918447
N-(2-ethylhexyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082051
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
1-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 55332959
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55609929

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 55603057) is 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NCC(C3CCOC3)N3CCOCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YGTMVZMLAHCYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-2-17-3-5-20(6-4-17)26-15-19(13-22(26)27)23(28)24-14-21(18-7-10-30-16-18)25-8-11-29-12-9-25/h3-6,18-19,21H,2,7-16H2,1H3,(H,24,28).
What are the key properties of 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 415.53 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55603057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).