(2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate

C21H30N4O5 — CID 130456379

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate
SMILESCCN(CC)CCNC(=O)c1cccc(CCCNC(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C21H30N4O5/c1-3-24(4-2)14-13-22-20(28)17-9-5-7-16(15-17)8-6-12-23-21(29)30-25-18(26)10-11-19(25)27/h5,7,9,15H,3-4,6,8,10-14H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyUIPNZQXMGRZNMM-UHFFFAOYSA-N
MW418.49 g/mol
LogP1.48
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate

(2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate (PubChem CID 130456379) has the molecular formula C21H30N4O5 and a molecular weight of 418.49 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate
PubChem CID130456379
Molecular FormulaC21H30N4O5
Molecular Weight418.49 g/mol
Exact Mass418.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate
SMILESCCN(CC)CCNC(=O)c1cccc(CCCNC(=O)ON2C(=O)CCC2=O)c1
InChIInChI=1S/C21H30N4O5/c1-3-24(4-2)14-13-22-20(28)17-9-5-7-16(15-17)8-6-12-23-21(29)30-25-18(26)10-11-19(25)27/h5,7,9,15H,3-4,6,8,10-14H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyUIPNZQXMGRZNMM-UHFFFAOYSA-N
XLogP1.48
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(cyanomethyl)-N-[2-(diethylamino)ethyl]benzamide
CID 82179015
(2,5-dioxopyrrolidin-1-yl) 2-[4-[4-[2-(diethylamino)ethylamino]-4-oxobutyl]phenyl]acetate
CID 167094690
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
2-(diethylamino)ethyl 4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]benzoate;(2,5-dioxopyrrolidin-1-yl) N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-[2-(diethylamino)ethylcarbamoyl]quinolin-6-yl]carbamate
CID 164967106
(2,5-dioxopyrrolidin-1-yl) N-[7-[3-(diethylamino)propylamino]-6-bicyclo[3.2.1]octa-1(8),2,4-trienyl]carbamate
CID 167094576
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
1-N,3-N-bis[2-[ethyl(octyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952425
1-N,3-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139952505
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
(2,5-dioxopyrrolidin-1-yl) 2-[3-[3-(diethylamino)propyl-methylamino]phenyl]acetate
CID 167094493
1-N,3-N-bis[2-(dibutylamino)ethyl]benzene-1,3-dicarboxamide
CID 139956379
3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide
CID 125135751

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate (CID 130456379) is (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate is CCN(CC)CCNC(=O)c1cccc(CCCNC(=O)ON2C(=O)CCC2=O)c1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate?
The InChIKey is UIPNZQXMGRZNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5/c1-3-24(4-2)14-13-22-20(28)17-9-5-7-16(15-17)8-6-12-23-21(29)30-25-18(26)10-11-19(25)27/h5,7,9,15H,3-4,6,8,10-14H2,1-2H3,(H,22,28)(H,23,29).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate?
(2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate has a molecular weight of 418.49 g/mol, XLogP of 1.48, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]propyl]carbamate is sourced from PubChem (CID 130456379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).