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

C16H27NO3 — CID 123825073

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide
SMILESCCCCCC=CC=CC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C16H27NO3/c1-4-5-6-7-8-9-10-11-15(18)17-12-14-13-19-16(2,3)20-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,17,18)
InChIKeyUDLVHMSLOUFPCY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.95
Rot. Bonds8

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide (PubChem CID 123825073) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide
PubChem CID123825073
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide
SMILESCCCCCC=CC=CC(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C16H27NO3/c1-4-5-6-7-8-9-10-11-15(18)17-12-14-13-19-16(2,3)20-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,17,18)
InChIKeyUDLVHMSLOUFPCY-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide (CID 123825073) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide is CCCCCC=CC=CC(=O)NCC1COC(C)(C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide?
The InChIKey is UDLVHMSLOUFPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-5-6-7-8-9-10-11-15(18)17-12-14-13-19-16(2,3)20-14/h8-11,14H,4-7,12-13H2,1-3H3,(H,17,18).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]deca-2,4-dienamide has a molecular weight of 281.40 g/mol, XLogP of 2.95, 8 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]deca-2,4-dienamide is sourced from PubChem (CID 123825073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).