(2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide

C17H28INO2 — CID 50901540

IUPAC(2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
SMILESCON(C)C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CI
InChIInChI=1S/C17H28INO2/c1-14(9-7-11-16(3)13-18)8-6-10-15(2)12-17(20)19(4)21-5/h8,11-12H,6-7,9-10,13H2,1-5H3/b14-8+,15-12+,16-11+
InChIKeyVZGSSEIZHAOKQQ-RKGBGRRTSA-N
MW405.32 g/mol
LogP4.84
Rot. Bonds9

About (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide

(2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide (PubChem CID 50901540) has the molecular formula C17H28INO2 and a molecular weight of 405.32 g/mol. Its IUPAC name is (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide.

Molecular Properties

Compound Name(2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
PubChem CID50901540
Molecular FormulaC17H28INO2
Molecular Weight405.32 g/mol
Exact Mass405.12
IUPAC Name(2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
SMILESCON(C)C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CI
InChIInChI=1S/C17H28INO2/c1-14(9-7-11-16(3)13-18)8-6-10-15(2)12-17(20)19(4)21-5/h8,11-12H,6-7,9-10,13H2,1-5H3/b14-8+,15-12+,16-11+
InChIKeyVZGSSEIZHAOKQQ-RKGBGRRTSA-N
XLogP4.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide with MolForge

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Related Compounds

N-methoxy-N,3-dimethyldec-2-enamide
CID 142294776
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide
CID 54538014
(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
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
(2E,6E)-9-iodo-N-methoxy-N-methylnona-2,6-dienamide
CID 89219272
10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
CID 162814763
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(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
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide?
The IUPAC name of (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide (CID 50901540) is (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide.
What is the SMILES notation for (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide?
The canonical SMILES for (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide is CON(C)C(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CI.
What is the InChIKey of (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide?
The InChIKey is VZGSSEIZHAOKQQ-RKGBGRRTSA-N. The full InChI is InChI=1S/C17H28INO2/c1-14(9-7-11-16(3)13-18)8-6-10-15(2)12-17(20)19(4)21-5/h8,11-12H,6-7,9-10,13H2,1-5H3/b14-8+,15-12+,16-11+.
What are the key properties of (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide?
(2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide has a molecular weight of 405.32 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-12-iodo-N-methoxy-N,3,7,11-tetramethyldodeca-2,6,10-trienamide is sourced from PubChem (CID 50901540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).