N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide

C16H29NO3 — CID 123958722

IUPACN-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide
SMILESCCCCC(C)CC(C)=CC(=O)NCC1COCCO1
InChIInChI=1S/C16H29NO3/c1-4-5-6-13(2)9-14(3)10-16(18)17-11-15-12-19-7-8-20-15/h10,13,15H,4-9,11-12H2,1-3H3,(H,17,18)
InChIKeyKHOPBMNYEJQQCQ-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.68
Rot. Bonds8

About N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide

N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide (PubChem CID 123958722) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide
PubChem CID123958722
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide
SMILESCCCCC(C)CC(C)=CC(=O)NCC1COCCO1
InChIInChI=1S/C16H29NO3/c1-4-5-6-13(2)9-14(3)10-16(18)17-11-15-12-19-7-8-20-15/h10,13,15H,4-9,11-12H2,1-3H3,(H,17,18)
InChIKeyKHOPBMNYEJQQCQ-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
CID 61023561
2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide
CID 61024472
5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide
CID 61023950
2-(1,4-dioxan-2-ylmethylcarbamoylamino)propanoic acid
CID 61209591
(2S)-2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961450
3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
CID 64676747
3-[(1,4-dioxan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 81069548
2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 61266429
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
CID 61023976
N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
CID 62847455
2-amino-N-(1,4-dioxan-2-ylmethyl)-4-methylsulfonylbutanamide
CID 54907981
(E)-3-methyl-N-[[(3R)-oxan-3-yl]methyl]pent-2-enamide
CID 125144166

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide (CID 123958722) is N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide is CCCCC(C)CC(C)=CC(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide?
The InChIKey is KHOPBMNYEJQQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-5-6-13(2)9-14(3)10-16(18)17-11-15-12-19-7-8-20-15/h10,13,15H,4-9,11-12H2,1-3H3,(H,17,18).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide?
N-(1,4-dioxan-2-ylmethyl)-3,5-dimethylnon-2-enamide has a molecular weight of 283.41 g/mol, XLogP of 2.68, 8 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)-3,5-dimethylnon-2-enamide is sourced from PubChem (CID 123958722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).