(2E,4E,6E,8E)-N-(cyclopropylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C24H35NO — CID 56679962

IUPAC(2E,4E,6E,8E)-N-(cyclopropylmethyl)-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)NCC2CC2)C(C)(C)CCC1
InChIInChI=1S/C24H35NO/c1-18(11-14-22-20(3)10-7-15-24(22,4)5)8-6-9-19(2)16-23(26)25-17-21-12-13-21/h6,8-9,11,14,16,21H,7,10,12-13,15,17H2,1-5H3,(H,25,26)/b9-6+,14-11+,18-8+,19-16+
InChIKeyLTDBJOBIIFQIPK-QOUPNPLKSA-N
MW353.55 g/mol
LogP6.04
Rot. Bonds7

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

(2E,4E,6E,8E)-N-(cyclopropylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 56679962) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
PubChem CID56679962
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Name(2E,4E,6E,8E)-N-(cyclopropylmethyl)-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)NCC2CC2)C(C)(C)CCC1
InChIInChI=1S/C24H35NO/c1-18(11-14-22-20(3)10-7-15-24(22,4)5)8-6-9-19(2)16-23(26)25-17-21-12-13-21/h6,8-9,11,14,16,21H,7,10,12-13,15,17H2,1-5H3,(H,25,26)/b9-6+,14-11+,18-8+,19-16+
InChIKeyLTDBJOBIIFQIPK-QOUPNPLKSA-N
XLogP6.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 56679962) is (2E,4E,6E,8E)-N-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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)NCC2CC2)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-N-(cyclopropylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
The InChIKey is LTDBJOBIIFQIPK-QOUPNPLKSA-N. The full InChI is InChI=1S/C24H35NO/c1-18(11-14-22-20(3)10-7-15-24(22,4)5)8-6-9-19(2)16-23(26)25-17-21-12-13-21/h6,8-9,11,14,16,21H,7,10,12-13,15,17H2,1-5H3,(H,25,26)/b9-6+,14-11+,18-8+,19-16+.
What are the key properties of (2E,4E,6E,8E)-N-(cyclopropylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?
(2E,4E,6E,8E)-N-(cyclopropylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 353.55 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N-(cyclopropylmethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 56679962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).