3-(dimethoxymethyl)heptane;2-methylprop-2-enamide

C14H29NO3 — CID 174301489

IUPAC3-(dimethoxymethyl)heptane;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCCCC(CC)C(OC)OC
InChIInChI=1S/C10H22O2.C4H7NO/c1-5-7-8-9(6-2)10(11-3)12-4;1-3(2)4(5)6/h9-10H,5-8H2,1-4H3;1H2,2H3,(H2,5,6)
InChIKeyLBAGTPOLLUDBTP-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.87
Rot. Bonds8

About 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide

3-(dimethoxymethyl)heptane;2-methylprop-2-enamide (PubChem CID 174301489) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide.

Molecular Properties

Compound Name3-(dimethoxymethyl)heptane;2-methylprop-2-enamide
PubChem CID174301489
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name3-(dimethoxymethyl)heptane;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCCCC(CC)C(OC)OC
InChIInChI=1S/C10H22O2.C4H7NO/c1-5-7-8-9(6-2)10(11-3)12-4;1-3(2)4(5)6/h9-10H,5-8H2,1-4H3;1H2,2H3,(H2,5,6)
InChIKeyLBAGTPOLLUDBTP-UHFFFAOYSA-N
XLogP2.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dodecane;bis(2-methylprop-2-enamide)
CID 87149534
2-ethylhexanal;2-methylprop-2-enamide
CID 174294578
ethyl 3-ethyl-2-methylheptanoate
CID 144913747
1-methoxypentyl 2-methylprop-2-enoate
CID 140764289
butyl-methoxy-dimethylsilane;2-methylprop-2-enamide
CID 158277654
1,1-dimethoxyethane;2-methylprop-2-enamide
CID 158750658
propyl 4-ethyl-3-hydroxy-2-methylideneoctanoate
CID 87776726
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate
CID 19391086
3-(hydroxymethyl)heptan-2-yl 2-methylprop-2-enoate
CID 54259962
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide?
The IUPAC name of 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide (CID 174301489) is 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide.
What is the SMILES notation for 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide?
The canonical SMILES for 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide is C=C(C)C(N)=O.CCCCC(CC)C(OC)OC.
What is the InChIKey of 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide?
The InChIKey is LBAGTPOLLUDBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2.C4H7NO/c1-5-7-8-9(6-2)10(11-3)12-4;1-3(2)4(5)6/h9-10H,5-8H2,1-4H3;1H2,2H3,(H2,5,6).
What are the key properties of 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide?
3-(dimethoxymethyl)heptane;2-methylprop-2-enamide has a molecular weight of 259.39 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)heptane;2-methylprop-2-enamide is sourced from PubChem (CID 174301489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).