N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide

C17H28N2O3 — CID 29299383

IUPACN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C)o1
InChIInChI=1S/C17H28N2O3/c1-11-7-15(14(4)22-11)16(20)18-10-17(5,6)19-8-12(2)21-13(3)9-19/h7,12-13H,8-10H2,1-6H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyORYUIOJQQRPEGB-STQMWFEESA-N
MW308.42 g/mol
LogP2.51
Rot. Bonds4

About N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 29299383) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID29299383
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C)o1
InChIInChI=1S/C17H28N2O3/c1-11-7-15(14(4)22-11)16(20)18-10-17(5,6)19-8-12(2)21-13(3)9-19/h7,12-13H,8-10H2,1-6H3,(H,18,20)/t12-,13-/m0/s1
InChIKeyORYUIOJQQRPEGB-STQMWFEESA-N
XLogP2.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78871532
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 47020165
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide
CID 29299185
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71685809
3-(cyclopropanecarbonylamino)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]naphthalene-2-carboxamide
CID 30889082

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide (CID 29299383) is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c(C)o1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ORYUIOJQQRPEGB-STQMWFEESA-N. The full InChI is InChI=1S/C17H28N2O3/c1-11-7-15(14(4)22-11)16(20)18-10-17(5,6)19-8-12(2)21-13(3)9-19/h7,12-13H,8-10H2,1-6H3,(H,18,20)/t12-,13-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 29299383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).