3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione

C19H26N2O3 — CID 110457840

IUPAC3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(CCN3CCOCC3)C2=O)cc1C
InChIInChI=1S/C19H26N2O3/c1-14-3-4-16(11-15(14)2)12-17-13-18(22)21(19(17)23)6-5-20-7-9-24-10-8-20/h3-4,11,17H,5-10,12-13H2,1-2H3
InChIKeyQCVZRTALDPNSCW-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.55
Rot. Bonds5

About 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione

3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione (PubChem CID 110457840) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
PubChem CID110457840
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
SMILESCc1ccc(CC2CC(=O)N(CCN3CCOCC3)C2=O)cc1C
InChIInChI=1S/C19H26N2O3/c1-14-3-4-16(11-15(14)2)12-17-13-18(22)21(19(17)23)6-5-20-7-9-24-10-8-20/h3-4,11,17H,5-10,12-13H2,1-2H3
InChIKeyQCVZRTALDPNSCW-UHFFFAOYSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
CID 39220953
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 2254425
3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254791
(3S)-3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 1119989
2-methyl-5-(2-morpholin-4-ylethyl)benzoic acid
CID 70846219
(3S)-1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 785093
ethyl 2-[3-[(3-chloro-4-methoxyphenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetate
CID 110458230
2-methyl-5-(2-morpholin-4-ylethyl)benzaldehyde
CID 143796960
(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
CID 92856701
(3R)-1-[3-(2-methylphenyl)propyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 98342708
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-[(3,4-dimethylphenyl)methyl]-4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 139822817
2-[3-[(3-chloro-4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 110458270

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione (CID 110457840) is 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione is Cc1ccc(CC2CC(=O)N(CCN3CCOCC3)C2=O)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is QCVZRTALDPNSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-3-4-16(11-15(14)2)12-17-13-18(22)21(19(17)23)6-5-20-7-9-24-10-8-20/h3-4,11,17H,5-10,12-13H2,1-2H3.
What are the key properties of 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione?
3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 330.43 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 110457840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).