N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide

C17H29NO — CID 10015635

IUPACN-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide
SMILESCC(=O)NC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H29NO/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-18-17(5)19/h8,10,12H,6-7,9,11,13H2,1-5H3,(H,18,19)/b15-10+,16-12+
InChIKeyZTIOVNSRRZYQRZ-NCZFFCEISA-N
MW263.42 g/mol
LogP4.54
Rot. Bonds8

About N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide

N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide (PubChem CID 10015635) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide.

Molecular Properties

Compound NameN-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide
PubChem CID10015635
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide
SMILESCC(=O)NC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C17H29NO/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-18-17(5)19/h8,10,12H,6-7,9,11,13H2,1-5H3,(H,18,19)/b15-10+,16-12+
InChIKeyZTIOVNSRRZYQRZ-NCZFFCEISA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-3,7-Dimethyl-2,6-octadienyl cyclopropylcarboxamide, (2E)-
CID 11658617
Herculin
CID 5318023
Dehydro-gamma-sanshool
CID 5316465
4-(dimethylamino)butyl-dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azanium
CID 166627509
(2E,6E)-N,3,7,11-tetramethyldodeca-2,6,10-trienamide
CID 5275516
(2E)-N-(3-aminopropyl)-3,7-dimethylocta-2,6-dienamide
CID 60168428
(2E)-N-[3-(3-aminopropylamino)propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168613
(2E)-N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-3,7-dimethylocta-2,6-dienamide
CID 60168614
(2E)-N-[3-[bis(3-aminopropyl)amino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168615
(2E)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168616
(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
CID 71525237
(2E,6E)-N-allyl-3,7,11-trimethyl-dodeca-2,6,10-trienamide
CID 5275518

Frequently Asked Questions

What is the IUPAC name of N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide?
The IUPAC name of N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide (CID 10015635) is N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide.
What is the SMILES notation for N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide?
The canonical SMILES for N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide is CC(=O)NC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide?
The InChIKey is ZTIOVNSRRZYQRZ-NCZFFCEISA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-18-17(5)19/h8,10,12H,6-7,9,11,13H2,1-5H3,(H,18,19)/b15-10+,16-12+.
What are the key properties of N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide?
N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide has a molecular weight of 263.42 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide is sourced from PubChem (CID 10015635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).