2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide

C26H45NO2 — CID 54407553

IUPAC2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide
SMILESCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C26H45NO2/c1-20(2)18-27(19-21(3)4)26(29)24(7)16-10-14-22(5)12-9-13-23(6)15-11-17-25(8)28/h12,15-16,20-21H,9-11,13-14,17-19H2,1-8H3
InChIKeyVRUFNRRURFZKAB-UHFFFAOYSA-N
MW403.65 g/mol
LogP6.90
Rot. Bonds14

About 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide

2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide (PubChem CID 54407553) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide.

Molecular Properties

Compound Name2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide
PubChem CID54407553
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide
SMILESCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C26H45NO2/c1-20(2)18-27(19-21(3)4)26(29)24(7)16-10-14-22(5)12-9-13-23(6)15-11-17-25(8)28/h12,15-16,20-21H,9-11,13-14,17-19H2,1-8H3
InChIKeyVRUFNRRURFZKAB-UHFFFAOYSA-N
XLogP6.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
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4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
N-(3,7-dimethylocta-2,6-dienyl)-N-(2-methylpropyl)butanamide
CID 76600040
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
N,N-bis(2-methylpropyl)-2-oxopropanamide
CID 10910517
(E)-6-methyl-8-propan-2-yloxyoct-5-en-2-one
CID 12910611
(2S,5E,9E)-5,9-dimethyl-13-oxo-2-propan-2-yltetradeca-5,9-dienal
CID 101253744
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
2-methyl-6-oxohept-2-enoic acid
CID 85419897

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide?
The IUPAC name of 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide (CID 54407553) is 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide.
What is the SMILES notation for 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide?
The canonical SMILES for 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide is CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide?
The InChIKey is VRUFNRRURFZKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO2/c1-20(2)18-27(19-21(3)4)26(29)24(7)16-10-14-22(5)12-9-13-23(6)15-11-17-25(8)28/h12,15-16,20-21H,9-11,13-14,17-19H2,1-8H3.
What are the key properties of 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide?
2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide has a molecular weight of 403.65 g/mol, XLogP of 6.90, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide is sourced from PubChem (CID 54407553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).