N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide

C15H25NO3 — CID 123257806

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
SMILESCCCCC=CC=CC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C15H25NO3/c1-4-5-6-7-8-9-10-14(17)16-11-13-12-18-15(2,3)19-13/h7-10,13H,4-6,11-12H2,1-3H3,(H,16,17)
InChIKeyCLBBQMCPSPLMQT-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.56
Rot. Bonds7

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide (PubChem CID 123257806) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
PubChem CID123257806
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
SMILESCCCCC=CC=CC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C15H25NO3/c1-4-5-6-7-8-9-10-14(17)16-11-13-12-18-15(2,3)19-13/h7-10,13H,4-6,11-12H2,1-3H3,(H,16,17)
InChIKeyCLBBQMCPSPLMQT-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
CID 88990990
(2E,4E)-N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
CID 88991029
(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
CID 88991076
(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 88991078
(2E,4E)-N-(1,3-dioxolan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 88991130
(2E,4E)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide
CID 88991160
N-(1,3-dioxolan-4-ylmethyl)deca-2,4-dienamide
CID 123337563
N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
CID 123450483
N-(1,3-dioxolan-2-ylmethyl)nona-2,4-dienamide
CID 123557082
N-(1,3-dioxolan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 123566981
N-(1,3-dioxolan-4-ylmethyl)nona-2,4-dienamide
CID 123611494
N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
CID 123701767

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide (CID 123257806) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide is CCCCC=CC=CC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide?
The InChIKey is CLBBQMCPSPLMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-5-6-7-8-9-10-14(17)16-11-13-12-18-15(2,3)19-13/h7-10,13H,4-6,11-12H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide has a molecular weight of 267.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide is sourced from PubChem (CID 123257806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).