(2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide

C27H37NO2 — CID 89259061

IUPAC(2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide
SMILESCCCC/C(C)=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc1ccc(O)cc1)C(C)C
InChIInChI=1S/C27H37NO2/c1-7-8-12-23(6)26(20(2)3)18-13-21(4)10-9-11-22(5)19-27(30)28-24-14-16-25(29)17-15-24/h9-11,13-20,29H,7-8,12H2,1-6H3,(H,28,30)/b11-9+,18-13+,21-10+,22-19+,26-23-
InChIKeyPARRVAYOLIFTDR-OYGAXDMRSA-N
MW407.60 g/mol
LogP7.50
Rot. Bonds10

About (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide

(2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide (PubChem CID 89259061) has the molecular formula C27H37NO2 and a molecular weight of 407.60 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide
PubChem CID89259061
Molecular FormulaC27H37NO2
Molecular Weight407.60 g/mol
Exact Mass407.28
IUPAC Name(2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide
SMILESCCCC/C(C)=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc1ccc(O)cc1)C(C)C
InChIInChI=1S/C27H37NO2/c1-7-8-12-23(6)26(20(2)3)18-13-21(4)10-9-11-22(5)19-27(30)28-24-14-16-25(29)17-15-24/h9-11,13-20,29H,7-8,12H2,1-6H3,(H,28,30)/b11-9+,18-13+,21-10+,22-19+,26-23-
InChIKeyPARRVAYOLIFTDR-OYGAXDMRSA-N
XLogP7.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 57.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E,6E,8E,10E)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenoic acid
CID 89261018
(2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7,11,11-tetramethyl-10-propan-2-ylidenetetradeca-2,4,6,8-tetraenamide
CID 145097731
N-(4-dodecoxyphenyl)-3-(4-hydroxyphenyl)but-2-enamide
CID 54488959
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-(4-hydroxyphenyl)phenyl]octanamide
CID 139889893
(2E,4E,6E,8E)-N-(4-aminophenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 23434925
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
1-(4-hydroxyphenyl)-3-octatriacontan-2-ylurea
CID 70999279
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
ethyl 4-[[(2E,4E,6E,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate
CID 124519039
[4-[[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]phenyl] 3-hydroxybutanoate
CID 91209347
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide?
The IUPAC name of (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide (CID 89259061) is (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide.
What is the SMILES notation for (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide?
The canonical SMILES for (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide is CCCC/C(C)=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc1ccc(O)cc1)C(C)C.
What is the InChIKey of (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide?
The InChIKey is PARRVAYOLIFTDR-OYGAXDMRSA-N. The full InChI is InChI=1S/C27H37NO2/c1-7-8-12-23(6)26(20(2)3)18-13-21(4)10-9-11-22(5)19-27(30)28-24-14-16-25(29)17-15-24/h9-11,13-20,29H,7-8,12H2,1-6H3,(H,28,30)/b11-9+,18-13+,21-10+,22-19+,26-23-.
What are the key properties of (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide?
(2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide has a molecular weight of 407.60 g/mol, XLogP of 7.50, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-N-(4-hydroxyphenyl)-3,7,11-trimethyl-10-propan-2-ylpentadeca-2,4,6,8,10-pentaenamide is sourced from PubChem (CID 89259061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).