ethyl 2-benzamido-4-methylpent-2-enoate

C15H19NO3 — CID 174918416

IUPACethyl 2-benzamido-4-methylpent-2-enoate
SMILESCCOC(=O)C(=CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-4-19-15(18)13(10-11(2)3)16-14(17)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,16,17)
InChIKeyTUEKIVPRPRRDJD-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.52
Rot. Bonds5

About ethyl 2-benzamido-4-methylpent-2-enoate

ethyl 2-benzamido-4-methylpent-2-enoate (PubChem CID 174918416) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-benzamido-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl 2-benzamido-4-methylpent-2-enoate
PubChem CID174918416
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl 2-benzamido-4-methylpent-2-enoate
SMILESCCOC(=O)C(=CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-4-19-15(18)13(10-11(2)3)16-14(17)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,16,17)
InChIKeyTUEKIVPRPRRDJD-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-benzamido-4-methylpent-2-enoate
CID 71400450
ethyl 2-benzamidohex-2-enoate
CID 54135301
ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 4038214
ethyl (Z)-2-benzamido-4-[methoxy(methyl)phosphoryl]but-2-enoate
CID 68913158
ethyl (Z)-2-benzamido-4-[ethoxy(methyl)phosphoryl]but-2-enoate
CID 68912357
propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 6073177
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
ethyl (E)-2-benzoyl-4-bromopent-2-enoate
CID 134890203
ethyl (2Z)-4-benzamido-2-cyano-3-hydroxy-5-phenylpenta-2,4-dienoate
CID 54689780
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
2-[2-benzamido-3-(4-propan-2-yloxyphenyl)prop-2-enoyl]oxyethyl-dimethylazanium
CID 4652414

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-4-methylpent-2-enoate?
The IUPAC name of ethyl 2-benzamido-4-methylpent-2-enoate (CID 174918416) is ethyl 2-benzamido-4-methylpent-2-enoate.
What is the SMILES notation for ethyl 2-benzamido-4-methylpent-2-enoate?
The canonical SMILES for ethyl 2-benzamido-4-methylpent-2-enoate is CCOC(=O)C(=CC(C)C)NC(=O)c1ccccc1.
What is the InChIKey of ethyl 2-benzamido-4-methylpent-2-enoate?
The InChIKey is TUEKIVPRPRRDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-19-15(18)13(10-11(2)3)16-14(17)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-benzamido-4-methylpent-2-enoate?
ethyl 2-benzamido-4-methylpent-2-enoate has a molecular weight of 261.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-4-methylpent-2-enoate is sourced from PubChem (CID 174918416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).