N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide

C17H21N3O4 — CID 119783948

IUPACN-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
SMILESO=C(NCCCCN1C(=O)c2ccccc2C1=O)C1CNCCO1
InChIInChI=1S/C17H21N3O4/c21-15(14-11-18-8-10-24-14)19-7-3-4-9-20-16(22)12-5-1-2-6-13(12)17(20)23/h1-2,5-6,14,18H,3-4,7-11H2,(H,19,21)
InChIKeyQWTVDQZAZCSTOL-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.17
Rot. Bonds6

About N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide

N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide (PubChem CID 119783948) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
PubChem CID119783948
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
SMILESO=C(NCCCCN1C(=O)c2ccccc2C1=O)C1CNCCO1
InChIInChI=1S/C17H21N3O4/c21-15(14-11-18-8-10-24-14)19-7-3-4-9-20-16(22)12-5-1-2-6-13(12)17(20)23/h1-2,5-6,14,18H,3-4,7-11H2,(H,19,21)
InChIKeyQWTVDQZAZCSTOL-UHFFFAOYSA-N
XLogP0.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride
CID 119851357
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
N-octylmorpholine-2-carboxamide
CID 115567943
N-(2-benzamidoethyl)morpholine-2-carboxamide;hydrochloride
CID 119702761
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119783927
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
2-(12-bromododecyl)isoindole-1,3-dione;2-(12-morpholin-2-yldodecyl)isoindole-1,3-dione
CID 67622931
N-[3-(thiophene-2-carbonylamino)propyl]morpholine-2-carboxamide
CID 119764480
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
CID 108540726
N-cyclopropyl-N-[[1-[3-(1,3-dioxoisoindol-2-yl)propyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 70905472
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903
N-[3-(1H-benzimidazol-2-yl)propyl]morpholine-2-carboxamide
CID 119838296

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide (CID 119783948) is N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide is O=C(NCCCCN1C(=O)c2ccccc2C1=O)C1CNCCO1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide?
The InChIKey is QWTVDQZAZCSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-15(14-11-18-8-10-24-14)19-7-3-4-9-20-16(22)12-5-1-2-6-13(12)17(20)23/h1-2,5-6,14,18H,3-4,7-11H2,(H,19,21).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide?
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide is sourced from PubChem (CID 119783948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).