(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide

C13H23F2NO2 — CID 153306587

IUPAC(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
SMILESCC(C)CNC(=O)C(F)(F)/C=C/COCC(C)C
InChIInChI=1S/C13H23F2NO2/c1-10(2)8-16-12(17)13(14,15)6-5-7-18-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)/b6-5+
InChIKeyAPEQEPWBFXQYDQ-AATRIKPKSA-N
MW263.33 g/mol
LogP2.62
Rot. Bonds8

About (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide

(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide (PubChem CID 153306587) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide.

Molecular Properties

Compound Name(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
PubChem CID153306587
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
SMILESCC(C)CNC(=O)C(F)(F)/C=C/COCC(C)C
InChIInChI=1S/C13H23F2NO2/c1-10(2)8-16-12(17)13(14,15)6-5-7-18-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)/b6-5+
InChIKeyAPEQEPWBFXQYDQ-AATRIKPKSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-(2,2-dimethylpropoxy)-2,2-dimethyl-N-(2-methylpropyl)pent-3-enamide
CID 156566724
2,2-difluoro-6-(2-methylpropoxy)-N-(2-methylpropyl)hexanamide
CID 153306593
(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene
CID 171766956
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 164555722
4-(2-methylpropoxy)-N-(2-methylpropyl)butanamide
CID 177120223
N-(2-methylprop-2-enoyl)-4-(2-methylpropoxy)but-2-enamide
CID 139892331
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
CID 4123450
1-[(E)-6-(2-methylpropoxy)hex-4-enyl]-3-propan-2-ylurea
CID 156566710
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
[1,1,1-trifluoro-3-(2-methylpropoxy)propan-2-yl] 3-methylbutanoate
CID 89221617
2,2-difluoro-N-(2-methylpropyl)tridecanamide
CID 138530179
propan-2-yl 8-(2-methylpropoxy)oct-6-enoate
CID 159374160

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide?
The IUPAC name of (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide (CID 153306587) is (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide.
What is the SMILES notation for (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide?
The canonical SMILES for (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide is CC(C)CNC(=O)C(F)(F)/C=C/COCC(C)C.
What is the InChIKey of (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide?
The InChIKey is APEQEPWBFXQYDQ-AATRIKPKSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-10(2)8-16-12(17)13(14,15)6-5-7-18-9-11(3)4/h5-6,10-11H,7-9H2,1-4H3,(H,16,17)/b6-5+.
What are the key properties of (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide?
(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide has a molecular weight of 263.33 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide is sourced from PubChem (CID 153306587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).