2-methyl-5-(3-phenylpropoxy)pent-2-enamide

C15H21NO2 — CID 66723362

IUPAC2-methyl-5-(3-phenylpropoxy)pent-2-enamide
SMILESCC(=CCCOCCCc1ccccc1)C(N)=O
InChIInChI=1S/C15H21NO2/c1-13(15(16)17)7-5-11-18-12-6-10-14-8-3-2-4-9-14/h2-4,7-9H,5-6,10-12H2,1H3,(H2,16,17)
InChIKeyZRBFWIOPQGMUMI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds8

About 2-methyl-5-(3-phenylpropoxy)pent-2-enamide

2-methyl-5-(3-phenylpropoxy)pent-2-enamide (PubChem CID 66723362) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-5-(3-phenylpropoxy)pent-2-enamide.

Molecular Properties

Compound Name2-methyl-5-(3-phenylpropoxy)pent-2-enamide
PubChem CID66723362
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-5-(3-phenylpropoxy)pent-2-enamide
SMILESCC(=CCCOCCCc1ccccc1)C(N)=O
InChIInChI=1S/C15H21NO2/c1-13(15(16)17)7-5-11-18-12-6-10-14-8-3-2-4-9-14/h2-4,7-9H,5-6,10-12H2,1H3,(H2,16,17)
InChIKeyZRBFWIOPQGMUMI-UHFFFAOYSA-N
XLogP2.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
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-phenylethyl 2-methyl-5-phenylpent-2-enoate
CID 174876813
(E)-5-(2-ethoxyethoxy)-2-methylpent-2-enamide
CID 87862268
(E)-2-methyl-8-phenyloct-2-enoic acid
CID 66912442
2-methyl-6-phenylmethoxyhex-2-enoic acid
CID 66912433
methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
ethyl 2-methyl-5-phenylmethoxypent-2-enoate
CID 71337058
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
CID 11265152
1-bromo-4-(3-phenylpropoxy)butan-2-one
CID 135222288
[(E)-7-phenylhept-3-enyl] acetate
CID 102243528
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
(E)-2-methyl-11-phenylmethoxyundec-2-enoic acid
CID 142611207
chloromethylbenzene;6-(dimethylamino)-2-methylhex-2-enamide
CID 162054583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-phenylpropoxy)pent-2-enamide?
The IUPAC name of 2-methyl-5-(3-phenylpropoxy)pent-2-enamide (CID 66723362) is 2-methyl-5-(3-phenylpropoxy)pent-2-enamide.
What is the SMILES notation for 2-methyl-5-(3-phenylpropoxy)pent-2-enamide?
The canonical SMILES for 2-methyl-5-(3-phenylpropoxy)pent-2-enamide is CC(=CCCOCCCc1ccccc1)C(N)=O.
What is the InChIKey of 2-methyl-5-(3-phenylpropoxy)pent-2-enamide?
The InChIKey is ZRBFWIOPQGMUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-13(15(16)17)7-5-11-18-12-6-10-14-8-3-2-4-9-14/h2-4,7-9H,5-6,10-12H2,1H3,(H2,16,17).
What are the key properties of 2-methyl-5-(3-phenylpropoxy)pent-2-enamide?
2-methyl-5-(3-phenylpropoxy)pent-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-phenylpropoxy)pent-2-enamide is sourced from PubChem (CID 66723362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).