N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide

C19H33NO2 — CID 71400852

IUPACN,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide
SMILESCCN(CC)C(=O)C=C(C)CCC=C(C)CCC1CCCO1
InChIInChI=1S/C19H33NO2/c1-5-20(6-2)19(21)15-17(4)10-7-9-16(3)12-13-18-11-8-14-22-18/h9,15,18H,5-8,10-14H2,1-4H3
InChIKeyHWMBBPXNXAVVBE-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.49
Rot. Bonds9

About N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide

N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide (PubChem CID 71400852) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide.

Molecular Properties

Compound NameN,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide
PubChem CID71400852
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide
SMILESCCN(CC)C(=O)C=C(C)CCC=C(C)CCC1CCCO1
InChIInChI=1S/C19H33NO2/c1-5-20(6-2)19(21)15-17(4)10-7-9-16(3)12-13-18-11-8-14-22-18/h9,15,18H,5-8,10-14H2,1-4H3
InChIKeyHWMBBPXNXAVVBE-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide?
The IUPAC name of N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide (CID 71400852) is N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide.
What is the SMILES notation for N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide?
The canonical SMILES for N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide is CCN(CC)C(=O)C=C(C)CCC=C(C)CCC1CCCO1.
What is the InChIKey of N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide?
The InChIKey is HWMBBPXNXAVVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-5-20(6-2)19(21)15-17(4)10-7-9-16(3)12-13-18-11-8-14-22-18/h9,15,18H,5-8,10-14H2,1-4H3.
What are the key properties of N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide?
N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide has a molecular weight of 307.48 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,7-dimethyl-9-(oxolan-2-yl)nona-2,6-dienamide is sourced from PubChem (CID 71400852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).