2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal

C19H37NO6 — CID 86754028

IUPAC2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal
SMILESC=C(CCCCCCCCCC)C(N)=O.C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O
InChIInChI=1S/C13H25NO.C6H12O5/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15;1-3(8)5(10)6(11)4(9)2-7/h2-11H2,1H3,(H2,14,15);2-6,8-11H,1H3/t;3-,4+,5+,6-/m.0/s1
InChIKeyIAYVSZLXDDGPSS-LNEKJHARSA-N
MW375.51 g/mol
LogP1.21
Rot. Bonds14

About 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal

2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal (PubChem CID 86754028) has the molecular formula C19H37NO6 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal.

Molecular Properties

Compound Name2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal
PubChem CID86754028
Molecular FormulaC19H37NO6
Molecular Weight375.51 g/mol
Exact Mass375.26
IUPAC Name2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal
SMILESC=C(CCCCCCCCCC)C(N)=O.C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O
InChIInChI=1S/C13H25NO.C6H12O5/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15;1-3(8)5(10)6(11)4(9)2-7/h2-11H2,1H3,(H2,14,15);2-6,8-11H,1H3/t;3-,4+,5+,6-/m.0/s1
InChIKeyIAYVSZLXDDGPSS-LNEKJHARSA-N
XLogP1.21
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal 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

2-methylidenetridecanamide
CID 22648504
2-methylidenepentadecanamide
CID 57359889
(Z)-2-methylideneicos-11-enamide
CID 87373212
(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
2,13-dimethylidenetetradecanediamide
CID 87303548
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
2,9-dimethylidenedecanediamide
CID 22052797
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351
[(2S,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] hexadecanoate
CID 101152395
[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] octadecanoate
CID 88664091
nonanoic acid;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 175934858
octadecanamide;bis(propan-2-ol)
CID 90014672

Frequently Asked Questions

What is the IUPAC name of 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal?
The IUPAC name of 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal (CID 86754028) is 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal.
What is the SMILES notation for 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal?
The canonical SMILES for 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal is C=C(CCCCCCCCCC)C(N)=O.C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O.
What is the InChIKey of 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal?
The InChIKey is IAYVSZLXDDGPSS-LNEKJHARSA-N. The full InChI is InChI=1S/C13H25NO.C6H12O5/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15;1-3(8)5(10)6(11)4(9)2-7/h2-11H2,1H3,(H2,14,15);2-6,8-11H,1H3/t;3-,4+,5+,6-/m.0/s1.
What are the key properties of 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal?
2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal has a molecular weight of 375.51 g/mol, XLogP of 1.21, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenedodecanamide;(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal is sourced from PubChem (CID 86754028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).