N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide

C24H41NO2 — CID 173290198

IUPACN-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide
SMILESCC=CC(C)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CONC(=O)CCC
InChIInChI=1S/C24H41NO2/c1-7-11-22(5)19-23(6)16-10-14-20(3)13-9-15-21(4)17-18-27-25-24(26)12-8-2/h7,11,13,16-17,22H,8-10,12,14-15,18-19H2,1-6H3,(H,25,26)/b11-7?,20-13+,21-17+,23-16+
InChIKeyPNTAYXFVUZBXID-ARKJWKBQSA-N
MW375.60 g/mol
LogP6.84
Rot. Bonds14

About N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide

N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide (PubChem CID 173290198) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide.

Molecular Properties

Compound NameN-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide
PubChem CID173290198
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide
SMILESCC=CC(C)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CONC(=O)CCC
InChIInChI=1S/C24H41NO2/c1-7-11-22(5)19-23(6)16-10-14-20(3)13-9-15-21(4)17-18-27-25-24(26)12-8-2/h7,11,13,16-17,22H,8-10,12,14-15,18-19H2,1-6H3,(H,25,26)/b11-7?,20-13+,21-17+,23-16+
InChIKeyPNTAYXFVUZBXID-ARKJWKBQSA-N
XLogP6.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide with MolForge

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Related Compounds

[(2E,6E)-3,5-dimethylocta-2,6-dienyl] propanoate
CID 101283081
[2-methyl-4-oxo-4-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphonic acid
CID 173216504
N-(2-methylpropoxy)butanamide
CID 87986570
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
[2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl] phosphate
CID 91935480
(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393
(10S)-2,6,10-trimethyltrideca-2,6,11-triene
CID 57030104
hydroxy-oxo-[1-oxo-1-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxyamino)butan-2-yl]phosphanium
CID 173216626
3,7,9-trimethyldeca-2,6-dienyl 2-hydroxy-2-methylpropanoate
CID 166505158
(11Z)-6,10-dimethyltrideca-2,6,11-triene
CID 91509510
[1-[[(2E)-3,7-dimethylocta-2,6-dienoxy]amino]-1-oxobutan-2-yl]phosphonic acid
CID 6475851
N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide
CID 57095589

Frequently Asked Questions

What is the IUPAC name of N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide?
The IUPAC name of N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide (CID 173290198) is N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide.
What is the SMILES notation for N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide?
The canonical SMILES for N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide is CC=CC(C)C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CONC(=O)CCC.
What is the InChIKey of N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide?
The InChIKey is PNTAYXFVUZBXID-ARKJWKBQSA-N. The full InChI is InChI=1S/C24H41NO2/c1-7-11-22(5)19-23(6)16-10-14-20(3)13-9-15-21(4)17-18-27-25-24(26)12-8-2/h7,11,13,16-17,22H,8-10,12,14-15,18-19H2,1-6H3,(H,25,26)/b11-7?,20-13+,21-17+,23-16+.
What are the key properties of N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide?
N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide has a molecular weight of 375.60 g/mol, XLogP of 6.84, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6E,10E)-3,7,11,13-tetramethylhexadeca-2,6,10,14-tetraenoxy]butanamide is sourced from PubChem (CID 173290198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).