N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide

C13H25NO3 — CID 146556893

IUPACN-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide
SMILESCCC(/C=C/C(NC=O)C(C)OCOC)CC
InChIInChI=1S/C13H25NO3/c1-5-12(6-2)7-8-13(14-9-15)11(3)17-10-16-4/h7-9,11-13H,5-6,10H2,1-4H3,(H,14,15)/b8-7+
InChIKeyYIYFSUHKRPPMGS-BQYQJAHWSA-N
MW243.35 g/mol
LogP2.10
Rot. Bonds10

About N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide

N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide (PubChem CID 146556893) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide.

Molecular Properties

Compound NameN-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide
PubChem CID146556893
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide
SMILESCCC(/C=C/C(NC=O)C(C)OCOC)CC
InChIInChI=1S/C13H25NO3/c1-5-12(6-2)7-8-13(14-9-15)11(3)17-10-16-4/h7-9,11-13H,5-6,10H2,1-4H3,(H,14,15)/b8-7+
InChIKeyYIYFSUHKRPPMGS-BQYQJAHWSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methoxymethoxy)butan-2-yl]formamide
CID 126762871
2-(methoxymethoxy)-3-methylpentane
CID 54188035
2,2,2-trichloro-N-[(3S,4S)-4-(methoxymethoxy)pent-1-en-3-yl]acetamide
CID 11953349
2-(methoxymethoxy)-3-methylbutane
CID 59908312
(2S)-2-(methoxymethoxy)propanal
CID 10898701
N-[(2S)-butan-2-yl]formamide
CID 55285287
N-[(2S)-1-methoxypropan-2-yl]formamide
CID 87302736
methyl (2S,3R)-2-hydroxy-3-(methoxymethoxy)butanoate
CID 10559215
3-(methoxymethoxy)-2-methylpentane
CID 21050072
N-(1-methoxypentan-2-yl)formamide
CID 64991687
tris[(E)-3-ethylpent-1-enyl] phosphate
CID 142696294
N-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]butan-2-yl]formamide
CID 142007053

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide?
The IUPAC name of N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide (CID 146556893) is N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide.
What is the SMILES notation for N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide?
The canonical SMILES for N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide is CCC(/C=C/C(NC=O)C(C)OCOC)CC.
What is the InChIKey of N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide?
The InChIKey is YIYFSUHKRPPMGS-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-12(6-2)7-8-13(14-9-15)11(3)17-10-16-4/h7-9,11-13H,5-6,10H2,1-4H3,(H,14,15)/b8-7+.
What are the key properties of N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide?
N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide has a molecular weight of 243.35 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-ethyl-2-(methoxymethoxy)oct-4-en-3-yl]formamide is sourced from PubChem (CID 146556893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).