N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride

C15H18ClN3O4 — CID 119741106

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1C(=O)c2ccccc2C1=O)C1COCCN1
InChIInChI=1S/C15H17N3O4.ClH/c19-13(12-9-22-8-6-16-12)17-5-7-18-14(20)10-3-1-2-4-11(10)15(18)21;/h1-4,12,16H,5-9H2,(H,17,19);1H
InChIKeyZTANMQMASFUDJC-UHFFFAOYSA-N
MW339.78 g/mol
LogP-0.19
Rot. Bonds4

About N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119741106) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119741106
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1C(=O)c2ccccc2C1=O)C1COCCN1
InChIInChI=1S/C15H17N3O4.ClH/c19-13(12-9-22-8-6-16-12)17-5-7-18-14(20)10-3-1-2-4-11(10)15(18)21;/h1-4,12,16H,5-9H2,(H,17,19);1H
InChIKeyZTANMQMASFUDJC-UHFFFAOYSA-N
XLogP-0.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyridin-2-ylethyl)morpholine-3-carboxamide;dihydrochloride
CID 119827893
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119783927
N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
CID 119883692
2-[2-[(morpholine-3-carbonylamino)methyl]phenyl]acetic acid
CID 81317493
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
N-[3-(dibenzylamino)propyl]morpholine-3-carboxamide
CID 119897262
N-(furan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119958152
N-[2-(5-chlorothiophen-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119735842
N-[3-(pyridin-2-ylamino)propyl]morpholine-3-carboxamide
CID 119854546
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride (CID 119741106) is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(NCCN1C(=O)c2ccccc2C1=O)C1COCCN1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is ZTANMQMASFUDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4.ClH/c19-13(12-9-22-8-6-16-12)17-5-7-18-14(20)10-3-1-2-4-11(10)15(18)21;/h1-4,12,16H,5-9H2,(H,17,19);1H.
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride?
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 339.78 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119741106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).