(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate

C20H29N3O4 — CID 167094493

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate
SMILESCCN(CC)CCCN(C)c1cccc(CC(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C20H29N3O4/c1-4-22(5-2)13-7-12-21(3)17-9-6-8-16(14-17)15-20(26)27-23-18(24)10-11-19(23)25/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3
InChIKeySCRNJZGSWMJRHA-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.00
Rot. Bonds10

About (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate

(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate (PubChem CID 167094493) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate
PubChem CID167094493
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate
SMILESCCN(CC)CCCN(C)c1cccc(CC(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C20H29N3O4/c1-4-22(5-2)13-7-12-21(3)17-9-6-8-16(14-17)15-20(26)27-23-18(24)10-11-19(23)25/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3
InChIKeySCRNJZGSWMJRHA-UHFFFAOYSA-N
XLogP2.00
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate with MolForge

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Related Compounds

2-(diethylamino)ethyl 4-[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]butanoate
CID 167094689
(2,5-dioxopyrrolidin-1-yl) 2-[4-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]phenyl]acetate
CID 167094690
[3-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl]-di(propan-2-yl)sulfanium
CID 143652418
(2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate
CID 130456379
(2,5-dioxopyrrolidin-1-yl) N-[7-[3-(diethylamino)propylamino]-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl]carbamate
CID 167094576
(2,5-dioxopyrrolidin-1-yl) 2-(4-phenylphenyl)acetate
CID 19969059
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
(2,5-dioxopyrrolidin-1-yl) propanoate;ethane;N-methyl-N-propylbutan-1-amine
CID 145317347
2-(diethylamino)ethyl 2-(3-aminophenyl)acetate
CID 62499206
(2,5-dioxopyrrolidin-1-yl) 5-(2,4,6-triethylphenoxy)pentanoate
CID 175002043
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate (CID 167094493) is (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate is CCN(CC)CCCN(C)c1cccc(CC(=O)ON2C(=O)CCC2=O)c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate?
The InChIKey is SCRNJZGSWMJRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-22(5-2)13-7-12-21(3)17-9-6-8-16(14-17)15-20(26)27-23-18(24)10-11-19(23)25/h6,8-9,14H,4-5,7,10-13,15H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate has a molecular weight of 375.47 g/mol, XLogP of 2.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate is sourced from PubChem (CID 167094493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).