N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide

C22H41NO6 — CID 142604637

IUPACN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide
SMILESCCCCCCCCCCC=CC=CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C22H41NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)23(2)16-18(25)21(28)22(29)19(26)17-24/h12-15,18-19,21-22,24-26,28-29H,3-11,16-17H2,1-2H3/t18-,19+,21+,22+/m0/s1
InChIKeyFEKGAIMOJSKGKB-YVNJGZBMSA-N
MW415.57 g/mol
LogP1.52
Rot. Bonds17

About N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide

N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide (PubChem CID 142604637) has the molecular formula C22H41NO6 and a molecular weight of 415.57 g/mol. Its IUPAC name is N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide.

Molecular Properties

Compound NameN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide
PubChem CID142604637
Molecular FormulaC22H41NO6
Molecular Weight415.57 g/mol
Exact Mass415.29
IUPAC NameN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide
SMILESCCCCCCCCCCC=CC=CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C22H41NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)23(2)16-18(25)21(28)22(29)19(26)17-24/h12-15,18-19,21-22,24-26,28-29H,3-11,16-17H2,1-2H3/t18-,19+,21+,22+/m0/s1
InChIKeyFEKGAIMOJSKGKB-YVNJGZBMSA-N
XLogP1.52
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 51.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)octadec-9-enamide
CID 122549810
(5E,7E,9E)-1,2,3-trihydroxytricosa-5,7,9-trien-4-one
CID 18679071
1,2,3-trihydroxypentacosa-5,7,9,11,13,15-hexaen-4-one
CID 77146427
N,N-dimethyldeca-2,4-dienamide
CID 123964212
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 95566091
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
ethane;(Z)-4-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-4-oxobut-2-enoic acid
CID 144965055
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(Z)-octadec-9-enoic acid
CID 175926566
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
pentadeca-3,5,7-trien-2-one
CID 91106763

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide?
The IUPAC name of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide (CID 142604637) is N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide.
What is the SMILES notation for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide?
The canonical SMILES for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide is CCCCCCCCCCC=CC=CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide?
The InChIKey is FEKGAIMOJSKGKB-YVNJGZBMSA-N. The full InChI is InChI=1S/C22H41NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(27)23(2)16-18(25)21(28)22(29)19(26)17-24/h12-15,18-19,21-22,24-26,28-29H,3-11,16-17H2,1-2H3/t18-,19+,21+,22+/m0/s1.
What are the key properties of N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide?
N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide has a molecular weight of 415.57 g/mol, XLogP of 1.52, 17 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentadeca-2,4-dienamide is sourced from PubChem (CID 142604637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).