N-hydroxy-N,3,7-trimethylocta-2,6-dienamide

C11H19NO2 — CID 54538014

IUPACN-hydroxy-N,3,7-trimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)N(C)O
InChIInChI=1S/C11H19NO2/c1-9(2)6-5-7-10(3)8-11(13)12(4)14/h6,8,14H,5,7H2,1-4H3
InChIKeyZBDNKWRDCQVRLI-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.53
Rot. Bonds4

About N-hydroxy-N,3,7-trimethylocta-2,6-dienamide

N-hydroxy-N,3,7-trimethylocta-2,6-dienamide (PubChem CID 54538014) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-hydroxy-N,3,7-trimethylocta-2,6-dienamide.

Molecular Properties

Compound NameN-hydroxy-N,3,7-trimethylocta-2,6-dienamide
PubChem CID54538014
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-hydroxy-N,3,7-trimethylocta-2,6-dienamide
SMILESCC(C)=CCCC(C)=CC(=O)N(C)O
InChIInChI=1S/C11H19NO2/c1-9(2)6-5-7-10(3)8-11(13)12(4)14/h6,8,14H,5,7H2,1-4H3
InChIKeyZBDNKWRDCQVRLI-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide
CID 173399288
tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)
CID 175882289
barium(2+);bis((2Z)-3,7-dimethylocta-2,6-dienoate)
CID 175905407
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 88637631
1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
CID 72726260
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one
CID 162269261
N-[2-(dimethylamino)ethyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54133454
methyl (2E)-3,7-dimethylocta-2,6-dieneperoxoate
CID 155204253
(5E,9E,13E,17E)-1,1,1-trifluoro-5,9,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-one
CID 10813531

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N,3,7-trimethylocta-2,6-dienamide?
The IUPAC name of N-hydroxy-N,3,7-trimethylocta-2,6-dienamide (CID 54538014) is N-hydroxy-N,3,7-trimethylocta-2,6-dienamide.
What is the SMILES notation for N-hydroxy-N,3,7-trimethylocta-2,6-dienamide?
The canonical SMILES for N-hydroxy-N,3,7-trimethylocta-2,6-dienamide is CC(C)=CCCC(C)=CC(=O)N(C)O.
What is the InChIKey of N-hydroxy-N,3,7-trimethylocta-2,6-dienamide?
The InChIKey is ZBDNKWRDCQVRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)6-5-7-10(3)8-11(13)12(4)14/h6,8,14H,5,7H2,1-4H3.
What are the key properties of N-hydroxy-N,3,7-trimethylocta-2,6-dienamide?
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide has a molecular weight of 197.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N,3,7-trimethylocta-2,6-dienamide is sourced from PubChem (CID 54538014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).