2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide

C24H37ClN4O3 — CID 45173788

IUPAC2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide
SMILESCCN(CC)CCN(CC)C(=O)CC1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C24H37ClN4O3/c1-6-27(7-2)14-15-28(8-3)21(30)17-24(19-11-9-10-12-20(19)25)18-22(31)29(23(24)32)16-13-26(4)5/h9-12H,6-8,13-18H2,1-5H3
InChIKeyBFQPSHJYMKUXRQ-UHFFFAOYSA-N
MW465.04 g/mol
LogP2.48
Rot. Bonds12

About 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide

2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide (PubChem CID 45173788) has the molecular formula C24H37ClN4O3 and a molecular weight of 465.04 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide
PubChem CID45173788
Molecular FormulaC24H37ClN4O3
Molecular Weight465.04 g/mol
Exact Mass464.26
IUPAC Name2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide
SMILESCCN(CC)CCN(CC)C(=O)CC1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C24H37ClN4O3/c1-6-27(7-2)14-15-28(8-3)21(30)17-24(19-11-9-10-12-20(19)25)18-22(31)29(23(24)32)16-13-26(4)5/h9-12H,6-8,13-18H2,1-5H3
InChIKeyBFQPSHJYMKUXRQ-UHFFFAOYSA-N
XLogP2.48
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.04
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide (CID 45173788) is 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide is CCN(CC)CCN(CC)C(=O)CC1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide?
The InChIKey is BFQPSHJYMKUXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37ClN4O3/c1-6-27(7-2)14-15-28(8-3)21(30)17-24(19-11-9-10-12-20(19)25)18-22(31)29(23(24)32)16-13-26(4)5/h9-12H,6-8,13-18H2,1-5H3.
What are the key properties of 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide?
2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide has a molecular weight of 465.04 g/mol, XLogP of 2.48, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-2,5-dioxopyrrolidin-3-yl]-N-[2-(diethylamino)ethyl]-N-ethylacetamide is sourced from PubChem (CID 45173788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).