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

C14H17NO3 — CID 71400450

IUPACmethyl 2-benzamido-4-methylpent-2-enoate
SMILESCOC(=O)C(=CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)9-12(14(17)18-3)15-13(16)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16)
InChIKeyCAASNOHQFHBZJL-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.13
Rot. Bonds4

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

methyl 2-benzamido-4-methylpent-2-enoate (PubChem CID 71400450) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is methyl 2-benzamido-4-methylpent-2-enoate.

Molecular Properties

Compound Namemethyl 2-benzamido-4-methylpent-2-enoate
PubChem CID71400450
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namemethyl 2-benzamido-4-methylpent-2-enoate
SMILESCOC(=O)C(=CC(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(2)9-12(14(17)18-3)15-13(16)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,15,16)
InChIKeyCAASNOHQFHBZJL-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.13
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

ethyl 2-benzamido-4-methylpent-2-enoate
CID 174918416
[(E)-2-benzamido-3-methoxy-3-oxoprop-1-enyl]-triphenylphosphanium;perchloric acid
CID 126958091
methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate
CID 66987424
methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate
CID 14443750
methyl (Z)-2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13180771
methyl 2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 4066470
methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2874468
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 1376034
methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
methyl 2-benzamido-3-(2-chlorocyclopenten-1-yl)prop-2-enoate
CID 77292704
methyl 3-(2-aminoanilino)-2-benzamidoprop-2-enoate
CID 1486062

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzamido-4-methylpent-2-enoate?
The IUPAC name of methyl 2-benzamido-4-methylpent-2-enoate (CID 71400450) is methyl 2-benzamido-4-methylpent-2-enoate.
What is the SMILES notation for methyl 2-benzamido-4-methylpent-2-enoate?
The canonical SMILES for methyl 2-benzamido-4-methylpent-2-enoate is COC(=O)C(=CC(C)C)NC(=O)c1ccccc1.
What is the InChIKey of methyl 2-benzamido-4-methylpent-2-enoate?
The InChIKey is CAASNOHQFHBZJL-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/h4-10H,1-3H3,(H,15,16).
What are the key properties of methyl 2-benzamido-4-methylpent-2-enoate?
methyl 2-benzamido-4-methylpent-2-enoate has a molecular weight of 247.29 g/mol, XLogP of 2.13, 4 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-2-enoate is sourced from PubChem (CID 71400450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).