2-methyl-5-phenoxypent-2-enamide

C12H15NO2 — CID 135224493

IUPAC2-methyl-5-phenoxypent-2-enamide
SMILESCC(=CCCOc1ccccc1)C(N)=O
InChIInChI=1S/C12H15NO2/c1-10(12(13)14)6-5-9-15-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3,(H2,13,14)
InChIKeyKPXUDUFSKJHKMW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-5-phenoxypent-2-enamide

2-methyl-5-phenoxypent-2-enamide (PubChem CID 135224493) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-methyl-5-phenoxypent-2-enamide.

Molecular Properties

Compound Name2-methyl-5-phenoxypent-2-enamide
PubChem CID135224493
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-methyl-5-phenoxypent-2-enamide
SMILESCC(=CCCOc1ccccc1)C(N)=O
InChIInChI=1S/C12H15NO2/c1-10(12(13)14)6-5-9-15-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3,(H2,13,14)
InChIKeyKPXUDUFSKJHKMW-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl (E)-2-methyl-5-phenoxypent-2-enoate
CID 176610982
2-methyl-5-(2-methyl-5-phenoxypent-2-enoyl)oxypent-2-enoic acid
CID 91283637
2-ethoxyethyl 2-methyl-5-phenoxypent-2-enoate
CID 174222574
(E)-2-methyl-9-phenoxynon-2-enoic acid
CID 118914903
benzyl 2-methyl-5-phenoxypent-2-enoate;prop-2-enoic acid
CID 174943617
2-methyl-5-(3-phenylpropoxy)pent-2-enamide
CID 66723362
acetic acid;butoxybenzene
CID 162338086
(5-amino-4-methyl-5-oxopent-3-enyl) butanoate
CID 135363249
2-phenoxyethyl 2-aminopropanoate
CID 61301873
(4-phenoxybutanoylamino) acetate
CID 175438575
1-phenoxyhexan-3-one
CID 60797707
(E)-5-(2-ethoxyethoxy)-2-methylpent-2-enamide
CID 87862268

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenoxypent-2-enamide?
The IUPAC name of 2-methyl-5-phenoxypent-2-enamide (CID 135224493) is 2-methyl-5-phenoxypent-2-enamide.
What is the SMILES notation for 2-methyl-5-phenoxypent-2-enamide?
The canonical SMILES for 2-methyl-5-phenoxypent-2-enamide is CC(=CCCOc1ccccc1)C(N)=O.
What is the InChIKey of 2-methyl-5-phenoxypent-2-enamide?
The InChIKey is KPXUDUFSKJHKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10(12(13)14)6-5-9-15-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3,(H2,13,14).
What are the key properties of 2-methyl-5-phenoxypent-2-enamide?
2-methyl-5-phenoxypent-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenoxypent-2-enamide is sourced from PubChem (CID 135224493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).