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

C15H29N3O3 — CID 119858904

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
SMILESCC1CN(CCCCNC(=O)C2CNCCO2)CC(C)O1
InChIInChI=1S/C15H29N3O3/c1-12-10-18(11-13(2)21-12)7-4-3-5-17-15(19)14-9-16-6-8-20-14/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyPQFQCUAJTRAJDX-UHFFFAOYSA-N
MW299.42 g/mol
LogP-0.02
Rot. Bonds6

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

N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide (PubChem CID 119858904) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
PubChem CID119858904
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
SMILESCC1CN(CCCCNC(=O)C2CNCCO2)CC(C)O1
InChIInChI=1S/C15H29N3O3/c1-12-10-18(11-13(2)21-12)7-4-3-5-17-15(19)14-9-16-6-8-20-14/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyPQFQCUAJTRAJDX-UHFFFAOYSA-N
XLogP-0.02
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.02
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-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
CID 119858903
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
N-octylmorpholine-2-carboxamide
CID 115567943
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119851040
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
CID 119840985
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride
CID 119851357
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119852924
(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
CID 125177439

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide (CID 119858904) is N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide is CC1CN(CCCCNC(=O)C2CNCCO2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide?
The InChIKey is PQFQCUAJTRAJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12-10-18(11-13(2)21-12)7-4-3-5-17-15(19)14-9-16-6-8-20-14/h12-14,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide has a molecular weight of 299.42 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide is sourced from PubChem (CID 119858904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).