(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide

C41H69NO — CID 11307844

IUPAC(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C41H69NO/c1-32(2)19-13-20-35(7)21-14-22-36(8)23-15-24-37(9)25-16-26-38(10)27-17-28-39(11)29-18-30-40(12)31-41(43)42(33(3)4)34(5)6/h19,21,23,25,27,29,31,33-34H,13-18,20,22,24,26,28,30H2,1-12H3/b35-21+,36-23+,37-25-,38-27-,39-29-,40-31-
InChIKeyCEZZANPVPQDHNL-PNJAIIODSA-N
MW592.01 g/mol
LogP12.96
Rot. Bonds21

About (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide

(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide (PubChem CID 11307844) has the molecular formula C41H69NO and a molecular weight of 592.01 g/mol. Its IUPAC name is (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide.

Molecular Properties

Compound Name(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
PubChem CID11307844
Molecular FormulaC41H69NO
Molecular Weight592.01 g/mol
Exact Mass591.54
IUPAC Name(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C41H69NO/c1-32(2)19-13-20-35(7)21-14-22-36(8)23-15-24-37(9)25-16-26-38(10)27-17-28-39(11)29-18-30-40(12)31-41(43)42(33(3)4)34(5)6/h19,21,23,25,27,29,31,33-34H,13-18,20,22,24,26,28,30H2,1-12H3/b35-21+,36-23+,37-25-,38-27-,39-29-,40-31-
InChIKeyCEZZANPVPQDHNL-PNJAIIODSA-N
XLogP12.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.01
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypropyl)-N,3,7,11,15-pentamethylhexadeca-2,6,10,14-tetraenamide
CID 173399288
N-hydroxy-N,3,7-trimethylocta-2,6-dienamide
CID 54538014
(2E,6E,10E)-N-ethyl-N-(1-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 88637631
2,6,10,14-tetramethylpentadeca-5,9,13-trien-4-one
CID 162269261
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
3,7,11,15-tetramethyl-N-(1-sulfanylethyl)hexadeca-2,6,10,14-tetraenamide
CID 57031108
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695

Frequently Asked Questions

What is the IUPAC name of (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide?
The IUPAC name of (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide (CID 11307844) is (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide.
What is the SMILES notation for (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide?
The canonical SMILES for (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\C(=O)N(C(C)C)C(C)C.
What is the InChIKey of (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide?
The InChIKey is CEZZANPVPQDHNL-PNJAIIODSA-N. The full InChI is InChI=1S/C41H69NO/c1-32(2)19-13-20-35(7)21-14-22-36(8)23-15-24-37(9)25-16-26-38(10)27-17-28-39(11)29-18-30-40(12)31-41(43)42(33(3)4)34(5)6/h19,21,23,25,27,29,31,33-34H,13-18,20,22,24,26,28,30H2,1-12H3/b35-21+,36-23+,37-25-,38-27-,39-29-,40-31-.
What are the key properties of (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide?
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide has a molecular weight of 592.01 g/mol, XLogP of 12.96, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide is sourced from PubChem (CID 11307844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).