(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide

C14H23NO — CID 11521413

IUPAC(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
SMILESC/C=C/C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H23NO/c1-5-7-14(16)15-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3,(H,15,16)/b7-5+,13-10+
InChIKeyOMUJNTMAMJLEMF-XZUSAQEFSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds6

About (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide

(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide (PubChem CID 11521413) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
PubChem CID11521413
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
SMILESC/C=C/C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H23NO/c1-5-7-14(16)15-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3,(H,15,16)/b7-5+,13-10+
InChIKeyOMUJNTMAMJLEMF-XZUSAQEFSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
(2Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylocta-2,6-dienamide
CID 59793401
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
(E)-but-2-enoic acid;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 175185571
N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
(2E)-3,7-dimethyl-N-[(E)-prop-1-enyl]octa-2,6-dien-1-amine
CID 142550105
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
prop-2-ynyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895243
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid
CID 151276822

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide?
The IUPAC name of (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide (CID 11521413) is (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide?
The canonical SMILES for (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide is C/C=C/C(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide?
The InChIKey is OMUJNTMAMJLEMF-XZUSAQEFSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-7-14(16)15-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3,(H,15,16)/b7-5+,13-10+.
What are the key properties of (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide?
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide has a molecular weight of 221.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide is sourced from PubChem (CID 11521413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).