N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide

C14H27N3O3 — CID 119840985

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
SMILESCC1CN(CCCNC(=O)C2COCCN2)CC(C)O1
InChIInChI=1S/C14H27N3O3/c1-11-8-17(9-12(2)20-11)6-3-4-16-14(18)13-10-19-7-5-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyPTWLFCABFQEFNI-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.41
Rot. Bonds5

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide (PubChem CID 119840985) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
PubChem CID119840985
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
SMILESCC1CN(CCCNC(=O)C2COCCN2)CC(C)O1
InChIInChI=1S/C14H27N3O3/c1-11-8-17(9-12(2)20-11)6-3-4-16-14(18)13-10-19-7-5-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyPTWLFCABFQEFNI-UHFFFAOYSA-N
XLogP-0.41
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 119850991
N-(5-hydroxy-4-methylpentyl)morpholine-3-carboxamide
CID 106161275
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide;dihydrochloride
CID 119850990
N-[3-[ethylsulfonyl(methyl)amino]propyl]morpholine-3-carboxamide;hydrochloride
CID 119728906
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[3-(4-phenylpiperazin-1-yl)propyl]morpholine-3-carboxamide;trihydrochloride
CID 119901924
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
(3R)-N-(2-aminoethyl)morpholine-3-carboxamide;hydrochloride
CID 130616444
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methylguanidine;hydroiodide
CID 51131455
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903
N-[2-(propan-2-ylsulfamoyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119758877

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide (CID 119840985) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide is CC1CN(CCCNC(=O)C2COCCN2)CC(C)O1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide?
The InChIKey is PTWLFCABFQEFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11-8-17(9-12(2)20-11)6-3-4-16-14(18)13-10-19-7-5-15-13/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide is sourced from PubChem (CID 119840985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).