N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride

C17H24ClN3O3 — CID 119755952

IUPACN-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-12(19-17(22)15-11-18-8-10-23-15)13-4-6-14(7-5-13)20-9-2-3-16(20)21;/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,22);1H
InChIKeyGEBFZNOGBHDMCJ-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.40
Rot. Bonds4

About N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride

N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119755952) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119755952
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CNCCO1)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-12(19-17(22)15-11-18-8-10-23-15)13-4-6-14(7-5-13)20-9-2-3-16(20)21;/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,22);1H
InChIKeyGEBFZNOGBHDMCJ-UHFFFAOYSA-N
XLogP1.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R,4R)-4-hydroxy-N-[(1S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 124692825
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CID 95242893
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CID 119724536
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N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide
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N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride (CID 119755952) is N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride is CC(NC(=O)C1CNCCO1)c1ccc(N2CCCC2=O)cc1.Cl.
What is the InChIKey of N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is GEBFZNOGBHDMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-12(19-17(22)15-11-18-8-10-23-15)13-4-6-14(7-5-13)20-9-2-3-16(20)21;/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,22);1H.
What are the key properties of N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride?
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119755952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).