methyl 2-benzamido-4-methylpent-4-enoate

C14H17NO3 — CID 14493675

IUPACmethyl 2-benzamido-4-methylpent-4-enoate
SMILESC=C(C)CC(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C14H17NO3/c1-10(2)9-12(14(17)18-3)15-13(16)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3,(H,15,16)
InChIKeyDOWBHFNFFVDPPT-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.92
Rot. Bonds5

About methyl 2-benzamido-4-methylpent-4-enoate

methyl 2-benzamido-4-methylpent-4-enoate (PubChem CID 14493675) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-benzamido-4-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-benzamido-4-methylpent-4-enoate
PubChem CID14493675
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-benzamido-4-methylpent-4-enoate
SMILESC=C(C)CC(NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C14H17NO3/c1-10(2)9-12(14(17)18-3)15-13(16)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3,(H,15,16)
InChIKeyDOWBHFNFFVDPPT-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
methyl (2S)-3-[(2-amino-2-oxoethyl)disulfanyl]-2-benzamidopropanoate
CID 132564669
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
N-(2,4-dimethylpent-4-enoyl)benzamide
CID 15864898
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate
CID 10870709
dimethyl (E,2S,7R)-2-benzamido-7-(2-oxopropyl)oct-4-enedioate
CID 59187940
methyl (2S)-2-benzamido-3-(trifluoromethylsulfonyl)propanoate
CID 101227983
methyl (2S,4S)-2,4,5-tribenzamidopentanoate
CID 14566783
methyl (2S)-2-benzamido-3-(2,6-dibromophenyl)propanoate
CID 162524147
methyl (2R)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 133109165
2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
CID 142855999
methyl (2S)-2-benzamidopropanoate
CID 6364617

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-4-methylpent-4-enoate?
The IUPAC name of methyl 2-benzamido-4-methylpent-4-enoate (CID 14493675) is methyl 2-benzamido-4-methylpent-4-enoate.
What is the SMILES notation for methyl 2-benzamido-4-methylpent-4-enoate?
The canonical SMILES for methyl 2-benzamido-4-methylpent-4-enoate is C=C(C)CC(NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-benzamido-4-methylpent-4-enoate?
The InChIKey is DOWBHFNFFVDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)9-12(14(17)18-3)15-13(16)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3,(H,15,16).
What are the key properties of methyl 2-benzamido-4-methylpent-4-enoate?
methyl 2-benzamido-4-methylpent-4-enoate has a molecular weight of 247.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzamido-4-methylpent-4-enoate is sourced from PubChem (CID 14493675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).