N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide

C16H30N4O4 — CID 3525281

IUPACN-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide
SMILESO=C(NCCCCCCNC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H30N4O4/c21-15(19-7-11-23-12-8-19)17-5-3-1-2-4-6-18-16(22)20-9-13-24-14-10-20/h1-14H2,(H,17,21)(H,18,22)
InChIKeyQWIQVJVYFVKHNC-UHFFFAOYSA-N
MW342.44 g/mol
LogP0.63
Rot. Bonds7

About N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide

N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide (PubChem CID 3525281) has the molecular formula C16H30N4O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide
PubChem CID3525281
Molecular FormulaC16H30N4O4
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC NameN-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide
SMILESO=C(NCCCCCCNC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H30N4O4/c21-15(19-7-11-23-12-8-19)17-5-3-1-2-4-6-18-16(22)20-9-13-24-14-10-20/h1-14H2,(H,17,21)(H,18,22)
InChIKeyQWIQVJVYFVKHNC-UHFFFAOYSA-N
XLogP0.63
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N'-[3-(4-morpholinyl)propyl]urea
CID 1987766
Mopyridone
CID 134102
4-(N-(Cyclohexyl)carbamoyl)morpholine
CID 853662
4-Morpholinecarboxamide, N-dodecyl-
CID 3064262
(3S)-N-cyclohexyl-3-methylmorpholine-4-carboxamide
CID 93629551
1,1'-Hexamethylenebis(3-(2-morpholinoethyl)urea)
CID 306747
1,3-Bis(3-morpholinopropyl)urea
CID 458638
N-cyclohexyl-4-[(1-methyl-2-morpholin-4-ylethyl)amino]piperidine-1-carboxamide
CID 56703440
4-[2-(dimethylamino)ethoxy]-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
CID 72136914
N-hexylmorpholin-4-ylcarboxamide
CID 4626364
morpholin-4-yl-N-octylcarboxamide
CID 4626365
N-pentylmorpholine-4-carboxamide
CID 4984479

Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide?
The IUPAC name of N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide (CID 3525281) is N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide?
The canonical SMILES for N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide is O=C(NCCCCCCNC(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide?
The InChIKey is QWIQVJVYFVKHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4/c21-15(19-7-11-23-12-8-19)17-5-3-1-2-4-6-18-16(22)20-9-13-24-14-10-20/h1-14H2,(H,17,21)(H,18,22).
What are the key properties of N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide?
N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(morpholine-4-carbonylamino)hexyl]morpholine-4-carboxamide is sourced from PubChem (CID 3525281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).