1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H29N3O3 — CID 112772299

IUPAC1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1=O
InChIInChI=1S/C24H29N3O3/c1-2-19-5-3-4-6-22(19)27-17-20(15-23(27)28)24(29)25-21-9-7-18(8-10-21)16-26-11-13-30-14-12-26/h3-10,20H,2,11-17H2,1H3,(H,25,29)
InChIKeyQPKJHWDMCDIWIT-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.07
Rot. Bonds6

About 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 112772299) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID112772299
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1=O
InChIInChI=1S/C24H29N3O3/c1-2-19-5-3-4-6-22(19)27-17-20(15-23(27)28)24(29)25-21-9-7-18(8-10-21)16-26-11-13-30-14-12-26/h3-10,20H,2,11-17H2,1H3,(H,25,29)
InChIKeyQPKJHWDMCDIWIT-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108730965
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319
methyl 4-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 26098178
N-[4-(difluoromethylsulfanyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112759119
1-(2-methoxyethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108730979
(3S)-N-(4-bromo-3,5-dimethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004590
1-(2-ethylphenyl)-5-oxo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 112833300
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 112772299) is 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)Nc2ccc(CN3CCOCC3)cc2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QPKJHWDMCDIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-2-19-5-3-4-6-22(19)27-17-20(15-23(27)28)24(29)25-21-9-7-18(8-10-21)16-26-11-13-30-14-12-26/h3-10,20H,2,11-17H2,1H3,(H,25,29).
What are the key properties of 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 112772299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).