N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide

C29H49NO2 — CID 57042835

IUPACN-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
SMILESCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)NCCC(C)(C)C
InChIInChI=1S/C29H49NO2/c1-23(14-10-16-25(3)18-12-20-27(5)31)13-9-15-24(2)17-11-19-26(4)28(32)30-22-21-29(6,7)8/h14-15,18-19H,9-13,16-17,20-22H2,1-8H3,(H,30,32)
InChIKeyOUQFZOQZZDBTMV-UHFFFAOYSA-N
MW443.72 g/mol
LogP8.03
Rot. Bonds15

About N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide

N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide (PubChem CID 57042835) has the molecular formula C29H49NO2 and a molecular weight of 443.72 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
PubChem CID57042835
Molecular FormulaC29H49NO2
Molecular Weight443.72 g/mol
Exact Mass443.38
IUPAC NameN-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
SMILESCC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)NCCC(C)(C)C
InChIInChI=1S/C29H49NO2/c1-23(14-10-16-25(3)18-12-20-27(5)31)13-9-15-24(2)17-11-19-26(4)28(32)30-22-21-29(6,7)8/h14-15,18-19H,9-13,16-17,20-22H2,1-8H3,(H,30,32)
InChIKeyOUQFZOQZZDBTMV-UHFFFAOYSA-N
XLogP8.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.72
LogP ≤ 58.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide with MolForge

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Related Compounds

(E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide
CID 162406207
(2E,6E,10E,14E)-N,N-dibutyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
CID 13646042
(2E,6E,10E,14E)-N-ethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
CID 15069705
(2E,6E,10E)-N-ethyl-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienamide
CID 15069720
N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]acetamide
CID 15069742
N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide
CID 15069743
N-[(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenyl]propanamide
CID 15069747
N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]acetamide
CID 15069750
N-[(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenyl]propanamide
CID 15069751
N-(2,2-dimethyl-6-methylidene-5-oxocyclohex-3-en-1-yl)propanamide
CID 18320070
N-(2,2-dimethyl-6-methylidene-5-oxocyclohex-3-en-1-yl)butanamide
CID 18320112
N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)acetamide
CID 53632368

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide (CID 57042835) is N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide is CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide?
The InChIKey is OUQFZOQZZDBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H49NO2/c1-23(14-10-16-25(3)18-12-20-27(5)31)13-9-15-24(2)17-11-19-26(4)28(32)30-22-21-29(6,7)8/h14-15,18-19H,9-13,16-17,20-22H2,1-8H3,(H,30,32).
What are the key properties of N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide?
N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide has a molecular weight of 443.72 g/mol, XLogP of 8.03, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide is sourced from PubChem (CID 57042835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).