N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide

C13H18N2O4 — CID 56758878

IUPACN-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
SMILESCC(=O)N1CCOC(CNC(=O)c2ccoc2C)C1
InChIInChI=1S/C13H18N2O4/c1-9-12(3-5-18-9)13(17)14-7-11-8-15(10(2)16)4-6-19-11/h3,5,11H,4,6-8H2,1-2H3,(H,14,17)
InChIKeyMNXGQOUIMPFBIJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.57
Rot. Bonds3

About N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide

N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide (PubChem CID 56758878) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
PubChem CID56758878
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide
SMILESCC(=O)N1CCOC(CNC(=O)c2ccoc2C)C1
InChIInChI=1S/C13H18N2O4/c1-9-12(3-5-18-9)13(17)14-7-11-8-15(10(2)16)4-6-19-11/h3,5,11H,4,6-8H2,1-2H3,(H,14,17)
InChIKeyMNXGQOUIMPFBIJ-UHFFFAOYSA-N
XLogP0.57
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759
N-[(4-acetylmorpholin-2-yl)methyl]-4-methoxypyridine-2-carboxamide
CID 118785820
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 125163832
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-4-(6-aminopyrimidin-4-yl)benzamide
CID 126423943
2-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 38442503
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125161657
(2-chlorofuran-3-yl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
CID 106688583
N-[(4-acetylmorpholin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 56714322
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
N-[(4-acetylmorpholin-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 56750091
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide
CID 125174342

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide (CID 56758878) is N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide is CC(=O)N1CCOC(CNC(=O)c2ccoc2C)C1.
What is the InChIKey of N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide?
The InChIKey is MNXGQOUIMPFBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-12(3-5-18-9)13(17)14-7-11-8-15(10(2)16)4-6-19-11/h3,5,11H,4,6-8H2,1-2H3,(H,14,17).
What are the key properties of N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide?
N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylmorpholin-2-yl)methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 56758878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).