N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride

C15H30Cl2N4O3 — CID 119508727

IUPACN-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
SMILESCCNCCNC(=O)C1CC(=O)N(CCN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C15H28N4O3.2ClH/c1-2-16-3-4-17-15(21)13-11-14(20)19(12-13)6-5-18-7-9-22-10-8-18;;/h13,16H,2-12H2,1H3,(H,17,21);2*1H
InChIKeyZQZGZTDCEGNOAK-UHFFFAOYSA-N
MW385.34 g/mol
LogP-0.26
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride

N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119508727) has the molecular formula C15H30Cl2N4O3 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119508727
Molecular FormulaC15H30Cl2N4O3
Molecular Weight385.34 g/mol
Exact Mass384.17
IUPAC NameN-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
SMILESCCNCCNC(=O)C1CC(=O)N(CCN2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C15H28N4O3.2ClH/c1-2-16-3-4-17-15(21)13-11-14(20)19(12-13)6-5-18-7-9-22-10-8-18;;/h13,16H,2-12H2,1H3,(H,17,21);2*1H
InChIKeyZQZGZTDCEGNOAK-UHFFFAOYSA-N
XLogP-0.26
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119408328
N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166259890
(3R)-1-(2-morpholin-4-ylethyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95046533
(2S)-4-methyl-2-[[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119361761
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
N-(2-morpholin-4-ylethyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182640
(3R)-N-(2-methylsulfanylethyl)-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 30853089
N-(2,5-dimethylphenyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182982
1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113184203
1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 166254690
N-(2-amino-2-phenylethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119529290
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166372523

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride (CID 119508727) is N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride is CCNCCNC(=O)C1CC(=O)N(CCN2CCOCC2)C1.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is ZQZGZTDCEGNOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3.2ClH/c1-2-16-3-4-17-15(21)13-11-14(20)19(12-13)6-5-18-7-9-22-10-8-18;;/h13,16H,2-12H2,1H3,(H,17,21);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119508727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).