3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

C19H26N2O3 — CID 2927404

IUPAC3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCN(CC1CC1)C1CC(=O)N(c2ccc(OCC)cc2)C1=O
InChIInChI=1S/C19H26N2O3/c1-3-11-20(13-14-5-6-14)17-12-18(22)21(19(17)23)15-7-9-16(10-8-15)24-4-2/h7-10,14,17H,3-6,11-13H2,1-2H3
InChIKeyHJTRDPKZAFDUEA-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.84
Rot. Bonds8

About 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2927404) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2927404
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCN(CC1CC1)C1CC(=O)N(c2ccc(OCC)cc2)C1=O
InChIInChI=1S/C19H26N2O3/c1-3-11-20(13-14-5-6-14)17-12-18(22)21(19(17)23)15-7-9-16(10-8-15)24-4-2/h7-10,14,17H,3-6,11-13H2,1-2H3
InChIKeyHJTRDPKZAFDUEA-UHFFFAOYSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.84
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

3-(dipentylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 3736654
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23942969
(3S)-1-(4-ethoxyphenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 930931
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
(3R)-3-(diethylamino)-1-[4-[(3R)-3-(diethylamino)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 1022325
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 23859178
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 23802029
N-tert-butyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23743864
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23915169
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743675
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067
(3R)-1-(4-ethoxyphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione
CID 7448649

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 2927404) is 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCCN(CC1CC1)C1CC(=O)N(c2ccc(OCC)cc2)C1=O.
What is the InChIKey of 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is HJTRDPKZAFDUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-11-20(13-14-5-6-14)17-12-18(22)21(19(17)23)15-7-9-16(10-8-15)24-4-2/h7-10,14,17H,3-6,11-13H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 330.43 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(propyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2927404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).