N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide

C22H32N2O — CID 19693556

IUPACN-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide
SMILESCC(=O)N/N=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C22H32N2O/c1-17(9-7-10-18(2)14-16-23-24-20(4)25)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14,16H,8,11,15H2,1-6H3,(H,24,25)/b10-7+,13-12+,17-9+,18-14+,23-16+
InChIKeyGBJNKYSKQNNZCA-CHUPNPQESA-N
MW340.51 g/mol
LogP5.64
Rot. Bonds6

About N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide

N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide (PubChem CID 19693556) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide
PubChem CID19693556
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide
SMILESCC(=O)N/N=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C22H32N2O/c1-17(9-7-10-18(2)14-16-23-24-20(4)25)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14,16H,8,11,15H2,1-6H3,(H,24,25)/b10-7+,13-12+,17-9+,18-14+,23-16+
InChIKeyGBJNKYSKQNNZCA-CHUPNPQESA-N
XLogP5.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide?
The IUPAC name of N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide (CID 19693556) is N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide.
What is the SMILES notation for N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide?
The canonical SMILES for N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide is CC(=O)N/N=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide?
The InChIKey is GBJNKYSKQNNZCA-CHUPNPQESA-N. The full InChI is InChI=1S/C22H32N2O/c1-17(9-7-10-18(2)14-16-23-24-20(4)25)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14,16H,8,11,15H2,1-6H3,(H,24,25)/b10-7+,13-12+,17-9+,18-14+,23-16+.
What are the key properties of N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide?
N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide has a molecular weight of 340.51 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]acetamide is sourced from PubChem (CID 19693556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).