N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide

C18H27NO7 — CID 108796297

IUPACN-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)CC(O)C(O)C(O)C(O)CO)cc1
InChIInChI=1S/C18H27NO7/c1-11-3-5-12(6-4-11)13(21)7-8-16(24)19(2)9-14(22)17(25)18(26)15(23)10-20/h3-6,14-15,17-18,20,22-23,25-26H,7-10H2,1-2H3
InChIKeySWZWXQLQBUNUTP-UHFFFAOYSA-N
MW369.41 g/mol
LogP-1.15
Rot. Bonds10

About N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide

N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide (PubChem CID 108796297) has the molecular formula C18H27NO7 and a molecular weight of 369.41 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
PubChem CID108796297
Molecular FormulaC18H27NO7
Molecular Weight369.41 g/mol
Exact Mass369.18
IUPAC NameN-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)CC(O)C(O)C(O)C(O)CO)cc1
InChIInChI=1S/C18H27NO7/c1-11-3-5-12(6-4-11)13(21)7-8-16(24)19(2)9-14(22)17(25)18(26)15(23)10-20/h3-6,14-15,17-18,20,22-23,25-26H,7-10H2,1-2H3
InChIKeySWZWXQLQBUNUTP-UHFFFAOYSA-N
XLogP-1.15
TPSA138.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide
CID 108796375
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)-3-phenoxypropanamide
CID 108795484
3-(4-chlorophenoxy)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)propanamide
CID 108790085
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 15775348
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 78801197
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 55344317
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 55061165

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The IUPAC name of N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide (CID 108796297) is N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The canonical SMILES for N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide is Cc1ccc(C(=O)CCC(=O)N(C)CC(O)C(O)C(O)C(O)CO)cc1.
What is the InChIKey of N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
The InChIKey is SWZWXQLQBUNUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO7/c1-11-3-5-12(6-4-11)13(21)7-8-16(24)19(2)9-14(22)17(25)18(26)15(23)10-20/h3-6,14-15,17-18,20,22-23,25-26H,7-10H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide?
N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide has a molecular weight of 369.41 g/mol, XLogP of -1.15, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)butanamide is sourced from PubChem (CID 108796297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).