N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide

C21H35NO2 — CID 15069743

IUPACN-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide
SMILESCCC(=O)NC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C21H35NO2/c1-6-21(24)22-16-19(4)14-8-12-17(2)10-7-11-18(3)13-9-15-20(5)23/h10,13-14H,6-9,11-12,15-16H2,1-5H3,(H,22,24)/b17-10+,18-13+,19-14+
InChIKeyPQJIJASPIQSHAC-ZPIGZSNLSA-N
MW333.52 g/mol
LogP5.28
Rot. Bonds12

About N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide

N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide (PubChem CID 15069743) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide.

Molecular Properties

Compound NameN-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide
PubChem CID15069743
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC NameN-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide
SMILESCCC(=O)NC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C21H35NO2/c1-6-21(24)22-16-19(4)14-8-12-17(2)10-7-11-18(3)13-9-15-20(5)23/h10,13-14H,6-9,11-12,15-16H2,1-5H3,(H,22,24)/b17-10+,18-13+,19-14+
InChIKeyPQJIJASPIQSHAC-ZPIGZSNLSA-N
XLogP5.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide with MolForge

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Related Compounds

N-3,7-Dimethyl-2,6-octadienyl cyclopropylcarboxamide, (2E)-
CID 11658617
N-(3,7-Dimethylocta-2,6-dien-1-YL)-2-oxopropanamide
CID 71441349
Cyclopropanecarboxamide, N-((2Z)-3,7-dimethyl-2,6-octadienyl)-
CID 11665730
3,7-Dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
CID 66799595
N-(2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-2-iodoacetamide
CID 91030593
n-Squalenyliodoacetamide
CID 129662289
N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]acetamide
CID 10015635
N-[(2E)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 10656024
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]propanamide
CID 11637078
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylpropanamide
CID 11658630
(2E,6E,10E,14E)-N,N-diethyl-2,6,10,14-tetramethyl-18-oxononadeca-2,6,10,14-tetraenamide
CID 13646039
(2E,6E,10E,14E)-2,6,10,14-tetramethyl-18-oxo-N,N-dipropylnonadeca-2,6,10,14-tetraenamide
CID 13646040

Frequently Asked Questions

What is the IUPAC name of N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide?
The IUPAC name of N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide (CID 15069743) is N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide.
What is the SMILES notation for N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide?
The canonical SMILES for N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide is CCC(=O)NC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(C)=O.
What is the InChIKey of N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide?
The InChIKey is PQJIJASPIQSHAC-ZPIGZSNLSA-N. The full InChI is InChI=1S/C21H35NO2/c1-6-21(24)22-16-19(4)14-8-12-17(2)10-7-11-18(3)13-9-15-20(5)23/h10,13-14H,6-9,11-12,15-16H2,1-5H3,(H,22,24)/b17-10+,18-13+,19-14+.
What are the key properties of N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide?
N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide has a molecular weight of 333.52 g/mol, XLogP of 5.28, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6E,10E)-2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl]propanamide is sourced from PubChem (CID 15069743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).