N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide

C12H24N2O3 — CID 113227794

IUPACN-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide
SMILESCC(C)CCOCCNC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2)3-7-16-8-4-13-12(15)14-5-9-17-10-6-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyFXOFRMSFDABEAR-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.09
Rot. Bonds6

About N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide

N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide (PubChem CID 113227794) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide
PubChem CID113227794
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide
SMILESCC(C)CCOCCNC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2)3-7-16-8-4-13-12(15)14-5-9-17-10-6-14/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyFXOFRMSFDABEAR-UHFFFAOYSA-N
XLogP1.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)morpholine-4-carboxamide
CID 103876112
(3S)-1-[2-(3-methylbutoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125959
N-propylmorpholine-4-carboxamide
CID 3410822
N-(3-methoxypropyl)morpholine-4-carboxamide
CID 3136313
N-[2-(2-hydroxypropylamino)ethyl]morpholine-4-carboxamide
CID 104593900
N-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 83039783
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
N-(3-methyl-2-oxobutyl)morpholine-4-carboxamide
CID 79152408
N-(2,3-dimethylbutyl)morpholine-4-carboxamide
CID 115642976
1-[2-(3-methylbutoxy)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111074957
N-(2-hydroxy-4-methylpentyl)morpholine-4-carboxamide
CID 103632058
N-[2-[(S)-tert-butylsulfinyl]ethyl]morpholine-4-carboxamide
CID 96502385

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide (CID 113227794) is N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide is CC(C)CCOCCNC(=O)N1CCOCC1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide?
The InChIKey is FXOFRMSFDABEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2)3-7-16-8-4-13-12(15)14-5-9-17-10-6-14/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide?
N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 113227794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).