N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide

C15H24N2O4 — CID 71916012

IUPACN-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide
SMILESCC1OCCN(C(=O)NCCCOCc2ccco2)C1C
InChIInChI=1S/C15H24N2O4/c1-12-13(2)20-10-7-17(12)15(18)16-6-4-8-19-11-14-5-3-9-21-14/h3,5,9,12-13H,4,6-8,10-11H2,1-2H3,(H,16,18)
InChIKeyICJDUUFJDPJBKM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.01
Rot. Bonds6

About N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide

N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide (PubChem CID 71916012) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide
PubChem CID71916012
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide
SMILESCC1OCCN(C(=O)NCCCOCc2ccco2)C1C
InChIInChI=1S/C15H24N2O4/c1-12-13(2)20-10-7-17(12)15(18)16-6-4-8-19-11-14-5-3-9-21-14/h3,5,9,12-13H,4,6-8,10-11H2,1-2H3,(H,16,18)
InChIKeyICJDUUFJDPJBKM-UHFFFAOYSA-N
XLogP2.01
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94041255
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030226
4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 55794043
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
N-[3-(furan-2-ylmethoxy)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153081
(3R)-1-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 94097464
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111398922
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
1-[(1R,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 100893850

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide (CID 71916012) is N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide is CC1OCCN(C(=O)NCCCOCc2ccco2)C1C.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide?
The InChIKey is ICJDUUFJDPJBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-12-13(2)20-10-7-17(12)15(18)16-6-4-8-19-11-14-5-3-9-21-14/h3,5,9,12-13H,4,6-8,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide?
N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 71916012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).