N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide

C15H25NO3 — CID 123917730

IUPACN-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
SMILESCCCCC=CC(C)=CC(=O)NCC1COCCO1
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-13(2)10-15(17)16-11-14-12-18-8-9-19-14/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,16,17)
InChIKeyMQFTUKCYZNZFQO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds7

About N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide

N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide (PubChem CID 123917730) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
PubChem CID123917730
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
SMILESCCCCC=CC(C)=CC(=O)NCC1COCCO1
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-13(2)10-15(17)16-11-14-12-18-8-9-19-14/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,16,17)
InChIKeyMQFTUKCYZNZFQO-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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'}

Analyze N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
CID 88990990
(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 88991033
(2E,4E)-N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide
CID 88991078
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 89672467
(Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylidenehept-3-enamide
CID 89672469
(E)-N-(1,4-dioxan-2-ylmethyl)-2-nonenamide
CID 89749560
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]nona-2,4-dienamide
CID 123257806
N-(1,3-dioxolan-4-ylmethyl)-3-methylnona-2,4-dienamide
CID 123450483
3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
CID 123678431
N-(1,4-dioxan-2-ylmethyl)nona-2,4-dienamide
CID 123701767
N-(1,4-dioxan-2-ylmethyl)-5-methylnon-2-enamide
CID 123762524
N-(1,4-dioxan-2-ylmethyl)non-2-enamide
CID 123897617

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide (CID 123917730) is N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide is CCCCC=CC(C)=CC(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide?
The InChIKey is MQFTUKCYZNZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-4-5-6-7-13(2)10-15(17)16-11-14-12-18-8-9-19-14/h6-7,10,14H,3-5,8-9,11-12H2,1-2H3,(H,16,17).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide?
N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide has a molecular weight of 267.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-3-methylnona-2,4-dienamide is sourced from PubChem (CID 123917730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).