(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide

C15H19F2NO2 — CID 94082091

IUPAC(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide
SMILESCC/C=C(\C)C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO2/c1-4-5-11(2)14(19)18(3)10-12-6-8-13(9-7-12)20-15(16)17/h5-9,15H,4,10H2,1-3H3/b11-5+
InChIKeyVRTTUKXNGXMCNO-VZUCSPMQSA-N
MW283.32 g/mol
LogP3.60
Rot. Bonds6

About (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide

(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide (PubChem CID 94082091) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide
PubChem CID94082091
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide
SMILESCC/C=C(\C)C(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H19F2NO2/c1-4-5-11(2)14(19)18(3)10-12-6-8-13(9-7-12)20-15(16)17/h5-9,15H,4,10H2,1-3H3/b11-5+
InChIKeyVRTTUKXNGXMCNO-VZUCSPMQSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
4-[[methyl-[(Z)-2-methylpent-2-enoyl]amino]methyl]benzoic acid
CID 51087525
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34984603

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide?
The IUPAC name of (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide (CID 94082091) is (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide is CC/C=C(\C)C(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide?
The InChIKey is VRTTUKXNGXMCNO-VZUCSPMQSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-4-5-11(2)14(19)18(3)10-12-6-8-13(9-7-12)20-15(16)17/h5-9,15H,4,10H2,1-3H3/b11-5+.
What are the key properties of (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide?
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide has a molecular weight of 283.32 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide is sourced from PubChem (CID 94082091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).