N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide

C13H20N2O3 — CID 115177679

IUPACN-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide
SMILESCc1ccc(CCN(C)C(=O)C2COCCN2)o1
InChIInChI=1S/C13H20N2O3/c1-10-3-4-11(18-10)5-7-15(2)13(16)12-9-17-8-6-14-12/h3-4,12,14H,5-9H2,1-2H3
InChIKeyJGHBFQOKEIDUKT-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.58
Rot. Bonds4

About N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide

N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide (PubChem CID 115177679) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide
PubChem CID115177679
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide
SMILESCc1ccc(CCN(C)C(=O)C2COCCN2)o1
InChIInChI=1S/C13H20N2O3/c1-10-3-4-11(18-10)5-7-15(2)13(16)12-9-17-8-6-14-12/h3-4,12,14H,5-9H2,1-2H3
InChIKeyJGHBFQOKEIDUKT-UHFFFAOYSA-N
XLogP0.58
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 115177667
N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]morpholine-3-carboxamide
CID 115177671
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119956917
3-[(5-methylfuran-2-yl)methyl]morpholine
CID 116927979
N-methyl-N-(4-propylphenyl)morpholine-3-carboxamide
CID 115177584
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119684849
N-methyl-N-(2,4,6-trimethylphenyl)morpholine-3-carboxamide
CID 115177590
N-(2-bromophenyl)-N-methylmorpholine-3-carboxamide
CID 115177610
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119690480
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119682446

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide (CID 115177679) is N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide is Cc1ccc(CCN(C)C(=O)C2COCCN2)o1.
What is the InChIKey of N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is JGHBFQOKEIDUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10-3-4-11(18-10)5-7-15(2)13(16)12-9-17-8-6-14-12/h3-4,12,14H,5-9H2,1-2H3.
What are the key properties of N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide?
N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-methylfuran-2-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 115177679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).