(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide

C16H29NO2 — CID 142240628

IUPAC(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide
SMILESC=CCCC(C(=O)N(C)OC)/C(C)=C/CCC(C)C
InChIInChI=1S/C16H29NO2/c1-7-8-12-15(16(18)17(5)19-6)14(4)11-9-10-13(2)3/h7,11,13,15H,1,8-10,12H2,2-6H3/b14-11+
InChIKeyWRDUSPNPGPTZFK-SDNWHVSQSA-N
MW267.41 g/mol
LogP3.97
Rot. Bonds9

About (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide

(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide (PubChem CID 142240628) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide.

Molecular Properties

Compound Name(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide
PubChem CID142240628
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide
SMILESC=CCCC(C(=O)N(C)OC)/C(C)=C/CCC(C)C
InChIInChI=1S/C16H29NO2/c1-7-8-12-15(16(18)17(5)19-6)14(4)11-9-10-13(2)3/h7,11,13,15H,1,8-10,12H2,2-6H3/b14-11+
InChIKeyWRDUSPNPGPTZFK-SDNWHVSQSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide 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

2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane
CID 142240632
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
CID 87672910
N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide
CID 166444620
N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide
CID 166436887
benzene;2-but-3-enylpropanedioic acid
CID 174917168
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
3-methoxyhept-6-en-2-one
CID 45085639
(2S,3S)-3-(hydroxymethyl)-N-methoxy-N,2-dimethylpent-4-enamide
CID 130367251
(Z,2S)-2-hydroxy-5-iodo-N-methoxy-N-methylhex-4-enamide
CID 59990586
(4S)-4-amino-3-hydroxyoct-7-en-2-one
CID 148867411
N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 139377372

Frequently Asked Questions

What is the IUPAC name of (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide?
The IUPAC name of (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide (CID 142240628) is (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide.
What is the SMILES notation for (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide?
The canonical SMILES for (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide is C=CCCC(C(=O)N(C)OC)/C(C)=C/CCC(C)C.
What is the InChIKey of (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide?
The InChIKey is WRDUSPNPGPTZFK-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H29NO2/c1-7-8-12-15(16(18)17(5)19-6)14(4)11-9-10-13(2)3/h7,11,13,15H,1,8-10,12H2,2-6H3/b14-11+.
What are the key properties of (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide?
(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide has a molecular weight of 267.41 g/mol, XLogP of 3.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide is sourced from PubChem (CID 142240628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).