N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide

C16H25NO7 — CID 108795484

IUPACN-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)CCOc1ccccc1
InChIInChI=1S/C16H25NO7/c1-17(9-12(19)15(22)16(23)13(20)10-18)14(21)7-8-24-11-5-3-2-4-6-11/h2-6,12-13,15-16,18-20,22-23H,7-10H2,1H3
InChIKeyAVZLCMYXKSJAQI-UHFFFAOYSA-N
MW343.38 g/mol
LogP-1.65
Rot. Bonds10

About N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide

N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide (PubChem CID 108795484) has the molecular formula C16H25NO7 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide
PubChem CID108795484
Molecular FormulaC16H25NO7
Molecular Weight343.38 g/mol
Exact Mass343.16
IUPAC NameN-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)CCOc1ccccc1
InChIInChI=1S/C16H25NO7/c1-17(9-12(19)15(22)16(23)13(20)10-18)14(21)7-8-24-11-5-3-2-4-6-11/h2-6,12-13,15-16,18-20,22-23H,7-10H2,1H3
InChIKeyAVZLCMYXKSJAQI-UHFFFAOYSA-N
XLogP-1.65
TPSA130.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-1.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
CID 108790085
(2R,3R,4R,5S)-6-[2-methoxyethyl(3-phenoxypropyl)amino]hexane-1,2,3,4,5-pentol
CID 126497842
N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
CID 108796297
N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide
CID 108796375
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide?
The IUPAC name of N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide (CID 108795484) is N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide.
What is the SMILES notation for N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide?
The canonical SMILES for N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide is CN(CC(O)C(O)C(O)C(O)CO)C(=O)CCOc1ccccc1.
What is the InChIKey of N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide?
The InChIKey is AVZLCMYXKSJAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO7/c1-17(9-12(19)15(22)16(23)13(20)10-18)14(21)7-8-24-11-5-3-2-4-6-11/h2-6,12-13,15-16,18-20,22-23H,7-10H2,1H3.
What are the key properties of N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide?
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide has a molecular weight of 343.38 g/mol, XLogP of -1.65, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide is sourced from PubChem (CID 108795484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).