2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

C17H32Cl2N4O4 — CID 120800841

IUPAC2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NC1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1
InChIInChI=1S/C17H30N4O4.2ClH/c18-16(13-1-7-24-8-2-13)17(23)19-14-11-15(22)21(12-14)4-3-20-5-9-25-10-6-20;;/h13-14,16H,1-12,18H2,(H,19,23);2*1H
InChIKeyDORAHLYQHKQDDU-UHFFFAOYSA-N
MW427.37 g/mol
LogP-0.37
Rot. Bonds6

About 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120800841) has the molecular formula C17H32Cl2N4O4 and a molecular weight of 427.37 g/mol. Its IUPAC name is 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120800841
Molecular FormulaC17H32Cl2N4O4
Molecular Weight427.37 g/mol
Exact Mass426.18
IUPAC Name2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)NC1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1
InChIInChI=1S/C17H30N4O4.2ClH/c18-16(13-1-7-24-8-2-13)17(23)19-14-11-15(22)21(12-14)4-3-20-5-9-25-10-6-20;;/h13-14,16H,1-12,18H2,(H,19,23);2*1H
InChIKeyDORAHLYQHKQDDU-UHFFFAOYSA-N
XLogP-0.37
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119890286
2-(cyclopropylmethylamino)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119890296
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890331
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119890319
N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]morpholine-3-carboxamide
CID 119890268
2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119890308
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
2-amino-2-(oxan-4-yl)-N-(1-prop-2-enylpiperidin-4-yl)acetamide;dihydrochloride
CID 120800093
5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 124609380
3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 132972010
2-amino-N-cyclooctyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783011

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120800841) is 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cl.Cl.NC(C(=O)NC1CC(=O)N(CCN2CCOCC2)C1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is DORAHLYQHKQDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4.2ClH/c18-16(13-1-7-24-8-2-13)17(23)19-14-11-15(22)21(12-14)4-3-20-5-9-25-10-6-20;;/h13-14,16H,1-12,18H2,(H,19,23);2*1H.
What are the key properties of 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 427.37 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).