(2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C30H41NO2 — CID 23434908

IUPAC(2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2cc(C(C)(C)C)ccc2O)C(C)(C)CCC1
InChIInChI=1S/C30H41NO2/c1-21(14-16-25-23(3)13-10-18-30(25,7)8)11-9-12-22(2)19-28(33)31-26-20-24(29(4,5)6)15-17-27(26)32/h9,11-12,14-17,19-20,32H,10,13,18H2,1-8H3,(H,31,33)/b12-9+,16-14+,21-11+,22-19+
InChIKeyLDZNJTLALJFCAE-KQKSCMBMSA-N
MW447.66 g/mol
LogP8.16
Rot. Bonds6

About (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 23434908) has the molecular formula C30H41NO2 and a molecular weight of 447.66 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID23434908
Molecular FormulaC30H41NO2
Molecular Weight447.66 g/mol
Exact Mass447.31
IUPAC Name(2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2cc(C(C)(C)C)ccc2O)C(C)(C)CCC1
InChIInChI=1S/C30H41NO2/c1-21(14-16-25-23(3)13-10-18-30(25,7)8)11-9-12-22(2)19-28(33)31-26-20-24(29(4,5)6)15-17-27(26)32/h9,11-12,14-17,19-20,32H,10,13,18H2,1-8H3,(H,31,33)/b12-9+,16-14+,21-11+,22-19+
InChIKeyLDZNJTLALJFCAE-KQKSCMBMSA-N
XLogP8.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.66
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The IUPAC name of (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 23434908) is (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.
What is the SMILES notation for (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The canonical SMILES for (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2cc(C(C)(C)C)ccc2O)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is LDZNJTLALJFCAE-KQKSCMBMSA-N. The full InChI is InChI=1S/C30H41NO2/c1-21(14-16-25-23(3)13-10-18-30(25,7)8)11-9-12-22(2)19-28(33)31-26-20-24(29(4,5)6)15-17-27(26)32/h9,11-12,14-17,19-20,32H,10,13,18H2,1-8H3,(H,31,33)/b12-9+,16-14+,21-11+,22-19+.
What are the key properties of (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 447.66 g/mol, XLogP of 8.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N-(5-tert-butyl-2-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 23434908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).