N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide

C20H29NO — CID 118348866

IUPACN-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide
SMILESC/C=C\C=C(/C)C#C/C(C)=C/C=C(\C)NC(=O)CC(C)(C)C
InChIInChI=1S/C20H29NO/c1-8-9-10-16(2)11-12-17(3)13-14-18(4)21-19(22)15-20(5,6)7/h8-10,13-14H,15H2,1-7H3,(H,21,22)/b9-8-,16-10+,17-13+,18-14+
InChIKeySDDHAUAKBLWMRR-ZPWGNANJSA-N
MW299.46 g/mol
LogP4.91
Rot. Bonds4

About N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide

N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide (PubChem CID 118348866) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide
PubChem CID118348866
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide
SMILESC/C=C\C=C(/C)C#C/C(C)=C/C=C(\C)NC(=O)CC(C)(C)C
InChIInChI=1S/C20H29NO/c1-8-9-10-16(2)11-12-17(3)13-14-18(4)21-19(22)15-20(5,6)7/h8-10,13-14H,15H2,1-7H3,(H,21,22)/b9-8-,16-10+,17-13+,18-14+
InChIKeySDDHAUAKBLWMRR-ZPWGNANJSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide (CID 118348866) is N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide is C/C=C\C=C(/C)C#C/C(C)=C/C=C(\C)NC(=O)CC(C)(C)C.
What is the InChIKey of N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide?
The InChIKey is SDDHAUAKBLWMRR-ZPWGNANJSA-N. The full InChI is InChI=1S/C20H29NO/c1-8-9-10-16(2)11-12-17(3)13-14-18(4)21-19(22)15-20(5,6)7/h8-10,13-14H,15H2,1-7H3,(H,21,22)/b9-8-,16-10+,17-13+,18-14+.
What are the key properties of N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide?
N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide has a molecular weight of 299.46 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,8E,10Z)-5,8-dimethyldodeca-2,4,8,10-tetraen-6-yn-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 118348866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).