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

C14H29NO6 — CID 3634985

IUPACN-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
SMILESCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C14H29NO6/c1-3-4-5-6-7-12(19)15(2)8-10(17)13(20)14(21)11(18)9-16/h10-11,13-14,16-18,20-21H,3-9H2,1-2H3
InChIKeyVHYYJWLKCODCNM-UHFFFAOYSA-N
MW307.39 g/mol
LogP-1.15
Rot. Bonds11

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

N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide (PubChem CID 3634985) has the molecular formula C14H29NO6 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide.

Molecular Properties

Compound NameN-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
PubChem CID3634985
Molecular FormulaC14H29NO6
Molecular Weight307.39 g/mol
Exact Mass307.20
IUPAC NameN-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
SMILESCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C14H29NO6/c1-3-4-5-6-7-12(19)15(2)8-10(17)13(20)14(21)11(18)9-16/h10-11,13-14,16-18,20-21H,3-9H2,1-2H3
InChIKeyVHYYJWLKCODCNM-UHFFFAOYSA-N
XLogP-1.15
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 95566091
(Z)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)octadec-9-enamide
CID 122549810
N-(3-methoxypropyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]hexadecanamide
CID 22859448
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;tetradecanoic acid
CID 122611223
2-hexyldecyl N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)carbamate
CID 24760195
(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10478004
N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
dodecanoic acid;ethene;hexane-1,2,3,4,5,6-hexol
CID 174898037

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide?
The IUPAC name of N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide (CID 3634985) is N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide.
What is the SMILES notation for N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide?
The canonical SMILES for N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide is CCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide?
The InChIKey is VHYYJWLKCODCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO6/c1-3-4-5-6-7-12(19)15(2)8-10(17)13(20)14(21)11(18)9-16/h10-11,13-14,16-18,20-21H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide?
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide has a molecular weight of 307.39 g/mol, XLogP of -1.15, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide is sourced from PubChem (CID 3634985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).