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

C16H26N2O3 — CID 29294243

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1
InChIInChI=1S/C16H26N2O3/c1-11-6-7-14(21-11)15(19)17-10-16(4,5)18-8-12(2)20-13(3)9-18/h6-7,12-13H,8-10H2,1-5H3,(H,17,19)/t12-,13+
InChIKeyNADKKUORTCARHC-BETUJISGSA-N
MW294.40 g/mol
LogP2.21
Rot. Bonds4

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

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide (PubChem CID 29294243) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
PubChem CID29294243
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1
InChIInChI=1S/C16H26N2O3/c1-11-6-7-14(21-11)15(19)17-10-16(4,5)18-8-12(2)20-13(3)9-18/h6-7,12-13H,8-10H2,1-5H3,(H,17,19)/t12-,13+
InChIKeyNADKKUORTCARHC-BETUJISGSA-N
XLogP2.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)furan-2-carboxamide
CID 723466
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
1,4-Bis(furan-2-ylcarbonyl)piperazine
CID 336735
ST50925815
CID 1203008
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide (CID 29294243) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide?
The InChIKey is NADKKUORTCARHC-BETUJISGSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-6-7-14(21-11)15(19)17-10-16(4,5)18-8-12(2)20-13(3)9-18/h6-7,12-13H,8-10H2,1-5H3,(H,17,19)/t12-,13+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 29294243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).